SCHEMBL16116331

SCHEMBL16116331

Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)cc3c2C(C)(C)C(=O)N3C(C)C)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 14/20 0.61
EZH1 Q92800 6/20 0.61
EED O75530 5/20 0.60
SUZ12 Q15022 5/20 0.60
RBBP4 Q09028 1/20 0.60
RBBP7 Q16576 1/20 0.60
AEBP2 Q6ZN18 1/20 0.60
HDAC1 Q13547 6/20 0.56
HDAC6 Q9UBN7 6/20 0.56
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL16116293 0.92 EZH1 (0.64) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16116240 0.92 EZH2 (0.71) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16116238 0.85 EZH2 (0.71) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16116259 0.85 EZH2 (0.71) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16116209 0.84 EZH1 (0.71) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16115485 0.82 EZH2 (0.72) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16115031 0.81 EZH2 (0.68) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16116124 0.81 EZH2 (0.68) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16115294 0.81 EZH2 (0.58) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16115764 0.80 EZH2 (0.69) EZH2EZH1EEDSUZ12RBBP4

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