SCHEMBL19390918

SCHEMBL19390918

CCNc1cc(-c2ccc(OCCOC)cc2)cc(C(=O)NCc2c(C)[nH][nH]c2=O)c1C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 19/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ALDH2 P05091 1/20 0.38
▸ EED O75530 1/20 0.37
▸ RBBP4 Q09028 1/20 0.37
▸ SUZ12 Q15022 1/20 0.37
▸ AEBP2 Q6ZN18 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
SCHEMBL20749696 0.86 EZH2 (0.51) EZH2CYP2D6CYP2C19ALDH2EED
SCHEMBL20749746 0.83 EZH2 (0.50) EZH2CYP2D6CYP2C19ALDH2EED
SCHEMBL20749743 0.79 EZH2 (0.50) EZH2CYP2D6CYP2C19EEDRBBP4
SCHEMBL16402804 0.79 EZH2 (0.80) EZH2CYP2D6CYP2C19
SCHEMBL16402805 0.79 EZH2 (0.80) EZH2CYP2D6CYP2C19
SCHEMBL19390929 0.79 EZH2 (0.46) EZH2CYP2D6CYP2C19ALDH2EED
SCHEMBL20749728 0.77 EZH2 (0.48) EZH2CYP2D6CYP2C19EEDRBBP4
SCHEMBL19390991 0.74 EZH2 (0.37) EZH2CYP2D6CYP2C19
SCHEMBL19391171 0.74 EZH2 (0.37) EZH2CYP2D6CYP2C19ALDH2
SCHEMBL18573591 0.74 EZH2 (0.68) EZH2CYP2D6CYP2C19EEDRBBP4

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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