SCHEMBL8739357

SCHEMBL8739357

CC1(C)CC(NC(=O)c2ccc(Oc3cccc4c(=O)[nH]ccc34)cc2)CC(C)(C)N1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 14/20 0.65
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8739032 0.81 EZH2 (0.63) EZH2KMT2AMEN1L3MBTL1
SCHEMBL8739020 0.81 EZH2 (0.63) EZH2KMT2AMEN1
SCHEMBL8738657 0.80 EZH2 (0.65) EZH2KMT2AMEN1L3MBTL1
SCHEMBL8738144 0.79 EZH2 (1.00) EZH2KMT2AMEN1L3MBTL1
SCHEMBL8738188 0.79 EZH2 (1.00) EZH2KMT2AMEN1
SCHEMBL8738170 0.79 EZH2 (0.79) EZH2
SCHEMBL8738926 0.79 EZH2 (0.74) EZH2
SCHEMBL8738253 0.78 EZH2 (1.00) EZH2KMT2AMEN1
SCHEMBL8738600 0.78 EZH2 (0.78) EZH2
SCHEMBL8738197 0.78 EZH2 (0.78) EZH2L3MBTL1

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