SCHEMBL8738971

SCHEMBL8738971

CC1(C)CC(NC(=O)c2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC(C)(C)N1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 8/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
GLA P06280 2/20 0.55
POLB P06746 1/20 0.53
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 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
SCHEMBL8738975 0.91 MEN1 (0.61) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8738156 0.85 EZH2 (0.76) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8739225 0.82 EZH2 (0.78) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL169747 0.81 EZH2 (0.80) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL6120173 0.78 EZH2 (0.77) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL310763 0.78 KMT2A (0.82) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8739251 0.78 EZH2 (0.76) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL6121204 0.77 EZH2 (0.74) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL2908330 0.77 EZH2 (0.89) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8738545 0.76 EZH2 (0.79) EZH2MEN1KMT2AL3MBTL1GLA

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