SCHEMBL17804581

SCHEMBL17804581

CCN(c1cc(-c2ccc(N3CCC(N(C)C)[C@H](C)C3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.86
▸ HDAC1 Q13547 2/20 0.74
▸ HDAC6 Q9UBN7 2/20 0.74

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
SCHEMBL13276799 0.92 EZH2 (1.00) EZH2HDAC1HDAC6
SCHEMBL13277885 0.91 EZH2 (0.89) EZH2HDAC1HDAC6
SCHEMBL13277359 0.90 EZH2 (0.86) EZH2HDAC1HDAC6
SCHEMBL13277247 0.89 EZH2 (1.00) EZH2HDAC1HDAC6
SCHEMBL13277721 0.89 EZH2 (1.00) EZH2HDAC1HDAC6
SCHEMBL14806637 0.88 EZH2 (0.84) EZH2HDAC1HDAC6
SCHEMBL15700591 0.87 EZH2 (0.95) EZH2HDAC1HDAC6
SCHEMBL15648844 0.86 EZH2 (0.88) EZH2HDAC1HDAC6
SCHEMBL22561600 0.86 EZH2 (0.88) EZH2HDAC1HDAC6
SCHEMBL15648843 0.86 EZH2 (0.88) EZH2HDAC1HDAC6

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-2697199-B1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 — — EP disclosed
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