SCHEMBL8739638

SCHEMBL8739638

CC1(C)CC(NC(=O)c2ccc(Oc3ccncc3)c(Br)c2)CC(C)(C)N1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 14/20 0.64
GLA P06280 2/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL8738274 0.89 EZH2 (0.72) EZH2GLA
SCHEMBL8739359 0.84 EZH2 (0.77) EZH2GLAKDM4EGAAMEN1
SCHEMBL8739397 0.82 EZH2 (0.63) EZH2MEN1KMT2AL3MBTL1
SCHEMBL8738600 0.81 EZH2 (0.78) EZH2
SCHEMBL8738610 0.79 EZH2 (0.72) EZH2GLA
SCHEMBL8739466 0.78 EZH2 (0.73) EZH2GLAMEN1KMT2A
SCHEMBL8739283 0.78 EZH2 (0.76) EZH2GLAMEN1KMT2A
SCHEMBL8739013 0.77 EZH2 (0.66) EZH2L3MBTL1
SCHEMBL6119756 0.77 EZH2 (0.77) EZH2MEN1KMT2A
SCHEMBL8738256 0.77 EZH2 (0.72) EZH2GLAL3MBTL1

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