SCHEMBL19390929

SCHEMBL19390929

CCCNc1cc(-c2ccc(OCCOC)cc2)cc(C(=O)NCc2c(C)n(C)[nH]c2=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 15/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ EED O75530 1/20 0.38
▸ RBBP4 Q09028 1/20 0.38
▸ SUZ12 Q15022 1/20 0.38
▸ AEBP2 Q6ZN18 1/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.36
▸ ALDH2 P05091 1/20 0.34

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) EZH2CYP2D6CYP2C19EEDRBBP4
SCHEMBL19390918 0.79 EZH2 (0.51) EZH2CYP2D6CYP2C19EEDRBBP4
SCHEMBL16402395 0.79 EZH2 (0.68) EZH2CYP2D6CYP2C19
SCHEMBL17891404 0.79 EZH2 (0.68) EZH2CYP2D6CYP2C19
SCHEMBL16402874 0.78 EZH2 (0.76) EZH2CYP2D6CYP2C19
SCHEMBL16402871 0.78 EZH2 (0.76) EZH2CYP2D6CYP2C19
SCHEMBL16408166 0.77 EZH2 (0.59) EZH2CYP2D6CYP2C19
SCHEMBL20749696 0.77 EZH2 (0.51) EZH2CYP2D6CYP2C19EEDRBBP4
SCHEMBL17891366 0.76 EZH2 (0.67) EZH2CYP2D6CYP2C19
SCHEMBL17891364 0.76 EZH2 (0.67) EZH2CYP2D6CYP2C19

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-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 — — EP disclosed
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