SCHEMBL16115012

SCHEMBL16115012

Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2CCC3=O)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 20/20 0.71
EED O75530 12/20 0.71
SUZ12 Q15022 12/20 0.71
EZH1 Q92800 6/20 0.68
RBBP4 Q09028 5/20 0.68
AEBP2 Q6ZN18 4/20 0.68
RBBP7 Q16576 3/20 0.68
PRMT3 O60678 1/20 0.57
SETD7 Q8WTS6 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16115002 0.92 EZH2 (0.60) EZH2EEDSUZ12EZH1RBBP4
SCHEMBL17026256 0.84 EZH2 (0.66) EZH2EEDSUZ12EZH1RBBP4
SCHEMBL16680601 0.84 EZH2 (0.72) EZH2EEDSUZ12EZH1RBBP4
SCHEMBL19570148 0.84 EZH2 (0.70) EZH2EEDSUZ12EZH1RBBP4
SCHEMBL21419320 0.83 EZH2 (1.00) EZH2EEDSUZ12EZH1RBBP4
Acrylamide SCHEMBL28529620 0.82 EZH2 (0.65) EZH2EEDSUZ12EZH1RBBP4
SCHEMBL2593962 0.82 EZH2 (0.80) EZH2EEDSUZ12EZH1RBBP4
SCHEMBL16115485 0.82 EZH2 (0.72) EZH2EEDSUZ12EZH1RBBP4
SCHEMBL15391460 0.82 EZH2 (0.69) EZH2EEDSUZ12EZH1RBBP4
SCHEMBL16115907 0.81 EZH2 (0.69) EZH2EEDSUZ12EZH1RBBP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014155301-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS INHIBITORS OF EZH2 Piramal Enterprises Limited (IN) 2014-10-02 WO claimed
WO-2014155301-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS INHIBITORS OF EZH2 Piramal Enterprises Limited (IN) 2014-10-02 WO disclosed