SCHEMBL17732395

SCHEMBL17732395

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCCCC3)nc2)cc(N(CC)C2CCOCC2)c1C

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.89
▸ HDAC1 Q13547 2/20 0.71
▸ HDAC6 Q9UBN7 2/20 0.71

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
SCHEMBL30878122 0.94 EZH2 (1.00) EZH2HDAC1HDAC6
SCHEMBL13280847 0.94 EZH2 (1.00) EZH2HDAC1HDAC6
SCHEMBL13276839 0.94 EZH2 (1.00) EZH2HDAC1HDAC6
SCHEMBL30688033 0.94 EZH2 (1.00) EZH2HDAC1HDAC6
SCHEMBL13276782 0.94 EZH2 (0.88) EZH2HDAC1HDAC6
SCHEMBL13277416 0.94 EZH2 (1.00) EZH2HDAC1HDAC6
SCHEMBL13276863 0.93 EZH2 (0.86) EZH2HDAC1HDAC6
SCHEMBL28530613 0.91 EZH2 (0.83) EZH2HDAC1HDAC6
SCHEMBL13277257 0.91 EZH2 (1.00) EZH2HDAC1HDAC6
SCHEMBL30688044 0.91 EZH2 (1.00) 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
US-9334527-B2 Inhibitors of human EZH2, and methods of use thereof Epizyme, Inc. (US) 2016-05-10 — — US disclosed
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