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Table 1 Creation of two groups of potential inhibitors of CSN-associated kinases. The structures found in the database by 3D and 2D screening were divided into two groups (curcumin-group and emodin-group) depending on the lead structures curcumin or emodin. The analysis of the 2D structures abet the division into the two groups. The double line marks the threshold, which normally limits the hits (2D similarity <85%).

From: Novel curcumin- and emodin-related compounds identified by in silico 2D/3D conformer screening induce apoptosis in tumor cells

Trade name 2D-structure 2D similarity (Tanimoto-coefficient)
Curcumin 1.0
Resveratrol 0.7
Piceatannol 0.7
BTB00363 0.7
Emodin 1.0
BTB 14431 0.9
JFD02836 0.9
SEW 04213 0.8
JFD03665 0.8