SCHEMBL18800382

SCHEMBL18800382

Cc1cc(CN2CCCC2)c(CNCc2cccc3c2cnn3C2CCCC2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EZH1 Q92800 2/20 0.44
▸ EZH2 Q15910 4/20 0.43
▸ PDE9A O76083 14/20 0.41
▸ PDE1C Q14123 1/20 0.38

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
SCHEMBL18800379 0.94 EZH1 (0.42) EZH1EZH2PDE9APDE1C
SCHEMBL18800353 0.93 EZH1 (0.42) EZH1EZH2PDE9APDE1C
SCHEMBL18800384 0.89 PDE9A (0.45) EZH1EZH2PDE9APDE1C
SCHEMBL18800350 0.87 EZH2 (0.54) EZH1EZH2PDE9A
SCHEMBL18800352 0.87 EZH1 (0.43) EZH1EZH2PDE9APDE1C
SCHEMBL12684434 0.85 EZH2 (0.55) EZH1EZH2
SCHEMBL18800360 0.83 EZH2 (0.43) EZH1EZH2PDE9APDE1C
SCHEMBL18800424 0.83 EZH1 (0.41) EZH1EZH2PDE9APDE1C
SCHEMBL12684237 0.80 EZH1 (0.53) EZH1EZH2
SCHEMBL12684442 0.79 EZH1 (0.52) EZH1EZH2

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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