SCHEMBL22561570

SCHEMBL22561570

CCN(c1cc(-c2ccc(OCCOCCOC)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCCCC1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 20/20 0.84
▸ CYP2D6 P10635 1/20 0.84
▸ CYP2C19 P33261 1/20 0.84
▸ KDM1A O60341 1/20 0.61

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
SCHEMBL21862648 0.98 EZH2 (0.88) EZH2CYP2D6CYP2C19KDM1A
SCHEMBL17136202 0.94 EZH2 (0.96) EZH2CYP2D6CYP2C19
SCHEMBL17136207 0.94 EZH2 (0.96) EZH2CYP2D6CYP2C19
SCHEMBL15700495 0.94 EZH2 (0.96) EZH2CYP2D6CYP2C19
SCHEMBL22561535 0.93 EZH2 (0.79) EZH2CYP2D6CYP2C19
SCHEMBL18736287 0.91 EZH2 (0.89) EZH2CYP2D6CYP2C19KDM1A
SCHEMBL16476033 0.91 EZH2 (1.00) EZH2CYP2D6CYP2C19
SCHEMBL15647852 0.91 EZH2 (1.00) EZH2CYP2D6CYP2C19
SCHEMBL15647850 0.91 EZH2 (1.00) EZH2CYP2D6CYP2C19
SCHEMBL22561466 0.91 EZH2 (0.76) 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-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 — — EP disclosed
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