SCHEMBL8739028

SCHEMBL8739028

CC1(C)CC(NC(=O)c2ccc(COc3ccncc3)cc2)CC(C)(C)N1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.80
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GLA P06280 1/20 0.50
SLC6A5 Q9Y345 1/20 0.49
SLC2A1 P11166 1/20 0.48

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
SCHEMBL8738997 0.89 EZH2 (1.00) EZH2MEN1KMT2APOLBMAPT
SCHEMBL8738962 0.88 EZH2 (0.81) EZH2MEN1KMT2APOLBMAPT
SCHEMBL8738237 0.88 EZH2 (0.81) EZH2MEN1KMT2APOLBMAPT
SCHEMBL8739245 0.87 EZH2 (0.77) EZH2MEN1KMT2APOLBMAPT
SCHEMBL8738221 0.87 EZH2 (0.80) EZH2MEN1KMT2APOLBMAPT
SCHEMBL8738966 0.86 EZH2 (0.69) EZH2MEN1KMT2APOLBMAPT
SCHEMBL8738695 0.86 EZH2 (0.91) EZH2SLC2A1
SCHEMBL8739359 0.85 EZH2 (0.77) EZH2MEN1KMT2APOLBATM
SCHEMBL8739677 0.85 EZH2 (0.58) EZH2MEN1KMT2APOLBMAPT
SCHEMBL8738594 0.85 EZH2 (0.77) EZH2MEN1KMT2APOLBMAPT

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