SCHEMBL8738985

SCHEMBL8738985

CC1(C)CC(NC(=O)c2ccc(COc3cccc(Br)c3)c(Br)c2)CC(C)(C)N1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 11/20 0.58
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 2/20 0.49
CYP2C9 P11712 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ATM Q13315 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
SCHEMBL8738601 0.91 EZH2 (0.70) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8739008 0.90 EZH2 (0.56) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL6120173 0.87 EZH2 (0.77) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8738140 0.86 EZH2 (0.63) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8739225 0.81 EZH2 (0.78) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL6121036 0.76 EZH2 (0.78) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8739377 0.76 EZH2 (0.78) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8738274 0.76 EZH2 (0.72) EZH2GLA
SCHEMBL8738147 0.75 EZH2 (0.77) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8738975 0.74 MEN1 (0.61) 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