SCHEMBL8738175

SCHEMBL8738175

CC1(C)CC(NC(=O)c2ccc(COc3ccccn3)cc2)CC(C)(C)N1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.73
GLA P06280 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL6120693 0.86 EZH2 (0.69) EZH2GLAMEN1KMT2AL3MBTL1
SCHEMBL8738303 0.85 EZH2 (0.73) EZH2GLAMEN1KMT2AL3MBTL1
SCHEMBL8738997 0.84 EZH2 (1.00) EZH2MEN1KMT2A
SCHEMBL8739262 0.84 EZH2 (0.66) EZH2GLAMEN1KMT2A
SCHEMBL6121053 0.84 EZH2 (0.65) EZH2GLAMEN1KMT2AL3MBTL1
SCHEMBL8739028 0.83 EZH2 (0.80) EZH2GLAMEN1KMT2AL3MBTL1
SCHEMBL8738568 0.82 EZH2 (0.66) EZH2MEN1KMT2A
SCHEMBL8738695 0.82 EZH2 (0.91) EZH2
SCHEMBL8738305 0.82 EZH2 (0.79) EZH2GLAMEN1KMT2AL3MBTL1
SCHEMBL8738171 0.82 EZH2 (0.74) EZH2GLAMEN1KMT2A

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