SCHEMBL16899451

SCHEMBL16899451

Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)c3ccn(C(C)C)c3c2C)c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.72
▸ EZH1 Q92800 4/20 0.68
▸ EED O75530 7/20 0.66
▸ SUZ12 Q15022 7/20 0.66
▸ RBBP4 Q09028 5/20 0.66
▸ AEBP2 Q6ZN18 4/20 0.66
▸ RBBP7 Q16576 3/20 0.66
▸ PRMT3 O60678 1/20 0.56
▸ SETD7 Q8WTS6 1/20 0.56
▸ HDAC6 Q9UBN7 3/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL16899505 0.92 EZH2 (0.86) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899421 0.89 EZH2 (0.61) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899646 0.89 EZH2 (0.63) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899439 0.86 EZH2 (0.58) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL2593962 0.86 EZH2 (0.80) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899620 0.85 EZH2 (0.87) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899579 0.85 EZH2 (0.84) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899515 0.84 EZH2 (0.86) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899424 0.84 EZH2 (0.63) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16899654 0.84 EZH2 (1.00) 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-2015104677-A1 HETEROCYCLIC COMPOUNDS AS EZH2 INHIBITORS Piramal Enterprises Limited (IN) 2015-07-16 — — WO claimed
WO-2015104677-A1 HETEROCYCLIC COMPOUNDS AS EZH2 INHIBITORS Piramal Enterprises Limited (IN) 2015-07-16 — — WO disclosed
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