SCHEMBL22561478

SCHEMBL22561478

CCN(c1cc(-c2ccc(OC3CCN(C)CC3)nc2)cc(C(O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.59
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ NR1I2 O75469 1/20 0.50
▸ EED O75530 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ RBBP4 Q09028 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ SUZ12 Q15022 1/20 0.50
▸ AEBP2 Q6ZN18 1/20 0.50
▸ EZH1 Q92800 1/20 0.50
▸ EHMT2 Q96KQ7 1/20 0.50

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
SCHEMBL15700396 0.87 EZH2 (0.78) EZH2HDAC1HDAC6NR1I2EED
SCHEMBL15700394 0.82 EZH2 (0.75) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL20612508 0.81 EZH2 (0.77) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL18715273 0.81 EZH2 (0.74) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL24224510 0.81 EZH2 (0.80) EZH2HDAC1HDAC6
SCHEMBL24224552 0.79 EZH2 (0.75) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL21689386 0.79 EZH2 (0.56) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL24224584 0.79 EZH2 (0.75) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL18715250 0.79 EZH2 (0.75) EZH2NR1I2EEDABCB11PDE4D
SCHEMBL24224545 0.79 EZH2 (0.78) 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
EP-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 — — EP disclosed
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