SCHEMBL8738653

SCHEMBL8738653

CC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4ccc(N)cc4)c3)cc2)CC(C)(C)N1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 11/20 0.70
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.45
GLA P06280 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
SMPD1 P17405 1/20 0.44

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
SCHEMBL8738206 0.93 EZH2 (0.73) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738629 0.90 EZH2 (0.74) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738268 0.89 EZH2 (0.66) EZH2L3MBTL1MEN1KMT2APOLB
SCHEMBL8738621 0.89 EZH2 (0.66) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738211 0.89 EZH2 (0.68) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8739014 0.88 EZH2 (0.67) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738307 0.86 EZH2 (0.67) EZH2L3MBTL1MEN1KMT2APOLB
SCHEMBL8738168 0.86 EZH2 (0.67) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738204 0.86 EZH2 (0.69) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738126 0.86 EZH2 (0.66) EZH2L3MBTL1MEN1KMT2AATM

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