SCHEMBL17732389

SCHEMBL17732389

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(CN3CCCCC3)cc2)cc(N(CC)C2CCOCC2)c1C

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 20/20 0.92
▸ NR1I2 O75469 1/20 0.78
▸ EED O75530 1/20 0.78
▸ ABCB11 O95342 1/20 0.78
▸ PDE4D Q08499 1/20 0.78
▸ RBBP4 Q09028 1/20 0.78
▸ KCNH2 Q12809 1/20 0.78
▸ PDE3A Q14432 1/20 0.78
▸ SUZ12 Q15022 1/20 0.78
▸ AEBP2 Q6ZN18 1/20 0.78
▸ EZH1 Q92800 1/20 0.78
▸ EHMT2 Q96KQ7 1/20 0.78

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
SCHEMBL13277476 0.96 EZH2 (1.00) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL21162199 0.94 EZH2 (0.87) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL13276864 0.92 EZH2 (1.00) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL13281293 0.91 EZH2 (1.00) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL13277143 0.90 EZH2 (0.89) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL13276541 0.90 EZH2 (1.00) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL31087436 0.90 EZH2 (1.00) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL21915997 0.89 EZH2 (0.97) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL13446365 0.88 EZH2 (0.92) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL13276853 0.88 EZH2 (1.00) EZH2NR1I2EEDABCB11PDE4D

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-9334527-B2 Inhibitors of human EZH2, and methods of use thereof Epizyme, Inc. (US) 2016-05-10 — — US disclosed
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