SCHEMBL16935167

SCHEMBL16935167

CCN(c1cc(-c2ccc(N3CCOCC3)nc2)cc(C(=O)NCc2c3c(c(C(F)(F)F)[nH]c2=O)CCCC3)c1C)C1CCOCC1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 19/20 0.81
▸ HDAC1 Q13547 1/20 0.67
▸ HDAC6 Q9UBN7 1/20 0.67
▸ EZH1 Q92800 1/20 0.66

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
SCHEMBL16935220 0.96 EZH2 (0.88) EZH2HDAC1HDAC6EZH1
SCHEMBL16935164 0.95 EZH2 (0.87) EZH2HDAC1HDAC6EZH1
SCHEMBL16935365 0.94 EZH2 (0.92) EZH2HDAC1HDAC6EZH1
SCHEMBL16935285 0.91 EZH2 (0.92) EZH2HDAC1HDAC6EZH1
SCHEMBL24071944 0.89 EZH2 (0.88) EZH2HDAC1HDAC6EZH1
SCHEMBL20111746 0.89 EZH2 (1.00) EZH2HDAC1HDAC6EZH1
SCHEMBL29412236 0.89 EZH2 (1.00) EZH2HDAC1HDAC6EZH1
SCHEMBL31189809 0.89 EZH2 (1.00) EZH2HDAC1HDAC6EZH1
SCHEMBL16935172 0.89 EZH2 (0.82) EZH2HDAC1HDAC6EZH1
SCHEMBL16935235 0.89 EZH2 (0.76) EZH2HDAC1HDAC6EZH1

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
WO-2015110999-A1 EZH2 INHIBITORS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-07-30 — — WO disclosed
Send feedback