SCHEMBL18800391

SCHEMBL18800391

Cc1ccc(CNC(O)c2cc(-c3cccc(CN(C)CCN(C)C)c3)nc3c2cnn3C(C)C)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 12/20 0.41
▸ PDE9A O76083 8/20 0.39
▸ EED O75530 1/20 0.36
▸ RBBP4 Q09028 1/20 0.36
▸ SUZ12 Q15022 1/20 0.36
▸ RBBP7 Q16576 1/20 0.36

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
SCHEMBL18800373 0.88 EZH2 (0.37) EZH2PDE9AEEDRBBP4SUZ12
SCHEMBL12684301 0.86 EZH2 (0.55) EZH2EEDRBBP4SUZ12RBBP7
SCHEMBL21418328 0.85 EZH2 (0.46) EZH2EEDRBBP4SUZ12RBBP7
SCHEMBL19958912 0.81 EZH2 (0.46) EZH2PDE9AEEDRBBP4SUZ12
SCHEMBL19391595 0.80 EZH2 (0.51) EZH2EEDRBBP4SUZ12RBBP7
SCHEMBL12684232 0.79 EZH2 (0.63) EZH2EEDRBBP4SUZ12RBBP7
SCHEMBL22517709 0.77 EZH2 (0.47) EZH2PDE9AEEDRBBP4SUZ12
SCHEMBL12683938 0.76 EZH2 (0.52) EZH2EEDRBBP4SUZ12RBBP7
SCHEMBL12498796 0.75 EZH2 (0.62) EZH2EEDRBBP4SUZ12RBBP7
SCHEMBL19430090 0.75 CARM1 (0.38) EZH2PDE9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637472-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-05-02 — — US disclosed
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