SCHEMBL8738641

SCHEMBL8738641

COc1ncc(-c2cccc(Oc3ccc(C(=O)NC4CC(C)(C)OC(C)(C)C4)cc3Cl)c2C#N)cn1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 18/20 0.78
SCN9A Q15858 1/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL8738260 0.92 EZH2 (0.79) EZH2SCN9A
SCHEMBL8739215 0.90 EZH2 (0.79) EZH2
SCHEMBL8739029 0.89 EZH2 (0.84) EZH2
SCHEMBL6120703 0.88 EZH2 (1.00) EZH2
SCHEMBL8739715 0.88 EZH2 (0.83) EZH2
SCHEMBL8739339 0.87 EZH2 (0.75) EZH2SCN9A
SCHEMBL8739278 0.87 EZH2 (0.76) EZH2
SCHEMBL8739382 0.86 EZH2 (0.71) EZH2PTK2
SCHEMBL8738914 0.86 EZH2 (0.73) EZH2SCN9APTK2
SCHEMBL8738951 0.86 EZH2 (0.77) 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