SCHEMBL8738656

SCHEMBL8738656

CC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cn[nH]c4)c3C#N)c(C3CC3)c2)CC(C)(C)N1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 19/20 0.81
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL8738930 0.90 EZH2 (0.84) EZH2ROCK2ROCK1
SCHEMBL8738622 0.89 EZH2 (1.00) EZH2
SCHEMBL8739453 0.89 EZH2 (0.83) EZH2
SCHEMBL8739666 0.89 EZH2 (0.83) EZH2
SCHEMBL8739029 0.81 EZH2 (0.84) EZH2ROCK2ROCK1
SCHEMBL8739385 0.80 EZH2 (0.71) EZH2
SCHEMBL8738587 0.79 EZH2 (0.73) EZH2
SCHEMBL8738987 0.79 EZH2 (0.84) EZH2
SCHEMBL8739078 0.79 EZH2 (0.84) EZH2
SCHEMBL6120847 0.79 EZH2 (1.00) 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
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed