SCHEMBL8739370

SCHEMBL8739370

CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)cc2)CC(C)(C)O1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 19/20 0.77
MAPK14 Q16539 1/20 0.53

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
SCHEMBL8738559 0.87 EZH2 (1.00) EZH2
SCHEMBL8738915 0.85 EZH2 (0.79) EZH2
SCHEMBL8739026 0.83 EZH2 (0.73) EZH2
SCHEMBL8738154 0.79 EZH2 (0.83) EZH2
SCHEMBL8739226 0.78 EZH2 (0.78) EZH2
SCHEMBL8738935 0.76 EZH2 (1.00) EZH2
SCHEMBL8739231 0.76 EZH2 (0.78) EZH2
SCHEMBL6306211 0.75 EZH2 (0.60) EZH2MAPK14
SCHEMBL8739457 0.74 EZH2 (0.76) EZH2
SCHEMBL8738153 0.74 EZH2 (0.76) 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