SCHEMBL8738140

SCHEMBL8738140

CC1(C)CC(NC(=O)c2cccc(COc3cccc(Br)c3)c2)CC(C)(C)N1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
ALDH1A1 P00352 2/20 0.61
RAB9A P51151 2/20 0.61
MRGPRX4 Q96LA9 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAOB P27338 2/20 0.52
ATM Q13315 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
GLA P06280 1/20 0.48
RAD52 P43351 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
SCHEMBL6120173 0.91 EZH2 (0.77) EZH2SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL8739377 0.90 EZH2 (0.78) EZH2MRGPRX4L3MBTL1MEN1KMT2A
SCHEMBL8738985 0.86 EZH2 (0.58) EZH2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8738583 0.86 EZH2 (0.62) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8739008 0.84 EZH2 (0.56) EZH2SMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL8738289 0.82 EZH2 (0.69) EZH2MRGPRX4L3MBTL1MEN1KMT2A
SCHEMBL8739225 0.80 EZH2 (0.78) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL6121036 0.80 EZH2 (0.78) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738955 0.79 MEN1 (0.69) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8739015 0.79 EZH2 (0.77) EZH2L3MBTL1ATM

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