SCHEMBL8738645

SCHEMBL8738645

CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3OCc3cccnc3)cc2)CC(C)(C)N1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 14/20 0.81
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK14 Q16539 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
GPR132 Q9UNW8 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
SCHEMBL8738979 0.90 EZH2 (0.85) EZH2MAPK14
SCHEMBL8739042 0.90 EZH2 (1.00) EZH2
SCHEMBL8739245 0.82 EZH2 (0.77) EZH2KDM4EALDH1A1SLC6A5
SCHEMBL8738277 0.82 EZH2 (0.77) EZH2ALDH1A1
SCHEMBL8739720 0.81 EZH2 (0.82) EZH2
SCHEMBL8738275 0.80 EZH2 (0.73) EZH2
SCHEMBL8738695 0.80 EZH2 (0.91) EZH2
SCHEMBL8738144 0.80 EZH2 (1.00) EZH2
SCHEMBL8738647 0.78 EZH2 (0.75) EZH2
SCHEMBL8739252 0.78 EZH2 (0.64) 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