SCHEMBL22561456

SCHEMBL22561456

CCN(c1cc(-c2ccc(CN3CCN(C)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN[C@H](C)C1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 20/20 0.73
▸ NR1I2 O75469 1/20 0.59
▸ EED O75530 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ RBBP4 Q09028 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ PDE3A Q14432 1/20 0.59
▸ SUZ12 Q15022 1/20 0.59
▸ AEBP2 Q6ZN18 1/20 0.59
▸ EZH1 Q92800 1/20 0.59
▸ EHMT2 Q96KQ7 1/20 0.59

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
SCHEMBL22561492 1.00 EZH2 (0.73) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL22561502 0.94 EZH2 (0.74) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL22561472 0.93 EZH2 (0.85) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL15700362 0.93 EZH2 (0.74) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL22561625 0.90 EZH2 (0.81) EZH2
SCHEMBL13277938 0.89 EZH2 (0.91) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL17136199 0.89 EZH2 (0.73) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL15700583 0.88 EZH2 (0.74) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL15700472 0.88 EZH2 (0.74) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL15700352 0.88 EZH2 (0.83) EZH2

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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