SCHEMBL8738303

SCHEMBL8738303

CC1(C)CC(NC(=O)c2ccc(Oc3ccccn3)cc2)CC(C)(C)N1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 13/20 0.73
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
GLA P06280 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL8738696 0.87 EZH2 (0.74) EZH2L3MBTL1ATMGLAMEN1
SCHEMBL8738664 0.86 EZH2 (0.65) EZH2L3MBTL1ATMGLAMEN1
SCHEMBL8738175 0.85 EZH2 (0.73) EZH2L3MBTL1GLAMEN1KMT2A
SCHEMBL6120964 0.85 EZH2 (1.00) EZH2L3MBTL1ATMGLAMEN1
SCHEMBL6120293 0.84 EZH2 (0.73) EZH2L3MBTL1ATMGLAMEN1
SCHEMBL8738275 0.83 EZH2 (0.73) EZH2GLAMEN1KMT2A
SCHEMBL6120386 0.83 EZH2 (0.64) EZH2L3MBTL1ATMGLAMEN1
SCHEMBL8739359 0.82 EZH2 (0.77) EZH2L3MBTL1ATMGLAMEN1
SCHEMBL8738236 0.82 EZH2 (0.65) EZH2L3MBTL1ATMGLAMEN1
SCHEMBL8739441 0.80 EZH2 (0.66) EZH2L3MBTL1ATMGLAMEN1

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