SCHEMBL8738975

SCHEMBL8738975

CC1(C)CC(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC(C)(C)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
EZH2 Q15910 8/20 0.60
GLA P06280 2/20 0.56
CYP2C9 P11712 1/20 0.53
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL8738971 0.91 EZH2 (0.59) MEN1KMT2AL3MBTL1EZH2GLA
SCHEMBL8738156 0.83 EZH2 (0.76) MEN1KMT2AL3MBTL1EZH2GLA
SCHEMBL310763 0.82 KMT2A (0.82) MEN1KMT2AL3MBTL1EZH2GLA
SCHEMBL8739225 0.80 EZH2 (0.78) MEN1KMT2AL3MBTL1EZH2GLA
SCHEMBL169747 0.79 EZH2 (0.80) MEN1KMT2AL3MBTL1EZH2GLA
SCHEMBL2908330 0.78 EZH2 (0.89) MEN1KMT2AL3MBTL1EZH2GLA
SCHEMBL6120173 0.77 EZH2 (0.77) MEN1KMT2AL3MBTL1EZH2GLA
SCHEMBL4611755 0.76 KMT2A (0.72) MEN1KMT2AL3MBTL1EZH2GLA
SCHEMBL27821167 0.76 KMT2A (0.72) MEN1KMT2AL3MBTL1EZH2GLA
SCHEMBL8739251 0.76 EZH2 (0.76) MEN1KMT2AL3MBTL1EZH2GLA

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