SCHEMBL20749713

SCHEMBL20749713

CCCNc1cc(-c2ccc(OCCOC)cc2)cc(Cc2c(C)[nH]c(C)cc2=O)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ EZH2 Q15910 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CTSV O60911 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ SYK P43405 1/20 0.30

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
SCHEMBL20749743 0.84 EZH2 (0.50) CYP2D6CYP2C19EZH2
SCHEMBL20749696 0.76 EZH2 (0.51) CYP2D6CYP2C19EZH2
SCHEMBL20749746 0.70 EZH2 (0.50) CYP2D6CYP2C19EZH2
SCHEMBL19390929 0.67 EZH2 (0.46) CYP2D6CYP2C19EZH2
SCHEMBL19390978 0.65 ERN1 (0.48) —
SCHEMBL20749728 0.65 EZH2 (0.48) CYP2D6CYP2C19EZH2
SCHEMBL19390969 0.65 EZH2 (0.36) CYP2D6CYP2C19EZH2
SCHEMBL19390918 0.63 EZH2 (0.51) CYP2D6CYP2C19EZH2
SCHEMBL14926660 0.61 CYP2D6 (0.63) CYP2D6CYP2C19CYP1A2CYP19A1CYP2C9
SCHEMBL14926658 0.61 CYP3A4 (0.53) CYP2D6CYP2C19CYP1A2CYP19A1CYP2C9

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
EP-2935214-B1 1,4-PYRIDONE COMPOUNDS EPIZYME INC (US) 2019-02-20 — — EP disclosed
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