SCHEMBL8738191

SCHEMBL8738191

CC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4cccc(C#N)c4)c3)cc2)CC(C)(C)N1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 16/20 0.71
SMPD1 P17405 1/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8738662 0.94 EZH2 (0.76) EZH2SMPD1ATML3MBTL1
SCHEMBL8738617 0.92 EZH2 (0.65) EZH2SMPD1
SCHEMBL8738629 0.88 EZH2 (0.74) EZH2ATML3MBTL1
SCHEMBL8738206 0.87 EZH2 (0.73) EZH2SMPD1ATML3MBTL1
SCHEMBL8738594 0.86 EZH2 (0.77) EZH2ATML3MBTL1
SCHEMBL8738653 0.85 EZH2 (0.70) EZH2SMPD1ATML3MBTL1
SCHEMBL8739659 0.85 EZH2 (0.76) EZH2ATML3MBTL1
SCHEMBL8738204 0.85 EZH2 (0.69) EZH2SMPD1ATML3MBTL1
SCHEMBL8738211 0.84 EZH2 (0.68) EZH2ATML3MBTL1
SCHEMBL8738576 0.84 EZH2 (0.68) EZH2ATML3MBTL1

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