SCHEMBL8739245

SCHEMBL8739245

CC1(C)CC(NC(=O)c2ccc(COc3cccnc3)cc2)CC(C)(C)N1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.77
SLC6A5 Q9Y345 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLA P06280 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL8739018 0.90 EZH2 (0.68) EZH2SLC6A5ATML3MBTL1GLA
SCHEMBL8739028 0.87 EZH2 (0.80) EZH2SLC6A5ATML3MBTL1GLA
SCHEMBL8738997 0.87 EZH2 (1.00) EZH2SLC6A5NPC1RAB9AALDH1A1
SCHEMBL8739679 0.86 EZH2 (0.57) EZH2SLC6A5NPC1RAB9AKDM4E
SCHEMBL8738277 0.85 EZH2 (0.77) EZH2ALDH1A1ATML3MBTL1GLA
SCHEMBL8739012 0.83 EZH2 (0.67) EZH2ATML3MBTL1GLAMEN1
SCHEMBL8738204 0.83 EZH2 (0.69) EZH2ATML3MBTL1GLAMEN1
SCHEMBL8738695 0.83 EZH2 (0.91) EZH2
SCHEMBL6121036 0.82 EZH2 (0.78) EZH2ATML3MBTL1GLAMEN1
SCHEMBL8738645 0.82 EZH2 (0.81) EZH2SLC6A5KDM4EALDH1A1

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