SCHEMBL18800455

SCHEMBL18800455

CCc1ccc(CNCc2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 13/20 0.48
▸ MAP3K11 Q16584 1/20 0.40
▸ EZH2 Q15910 5/20 0.40
▸ PDE1C Q14123 1/20 0.37

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
SCHEMBL12684176 0.87 EZH2 (0.53) PDE9AEZH2
SCHEMBL18800367 0.78 EZH2 (0.59) PDE9AEZH2
SCHEMBL12499856 0.72 EZH2 (0.72) EZH2
SCHEMBL12684276 0.71 EZH2 (0.59) PDE9AEZH2
SCHEMBL12684088 0.70 EZH2 (0.51) PDE9AEZH2
SCHEMBL18800336 0.69 EZH2 (0.70) EZH2
SCHEMBL20170053 0.69 ADORA1 (0.36) —
SCHEMBL25542823 0.68 AKR1C4 (0.35) EZH2
SCHEMBL21418348 0.68 EZH2 (0.64) EZH2
SCHEMBL21418341 0.67 EZH2 (0.56) EZH2

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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