SCHEMBL8738264

SCHEMBL8738264

CC1(C)CC(NC(=O)c2ccc(OCc3ccc([N+](=O)O)cc3)cc2)CC(C)(C)N1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.77
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC2A1 P11166 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
GLA P06280 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
SCHEMBL8738136 0.91 EZH2 (0.75) EZH2PKMMEN1POLBMAPT
SCHEMBL8738237 0.88 EZH2 (0.81) EZH2MEN1POLBMAPTRECQL
SCHEMBL8738962 0.88 EZH2 (0.81) EZH2PKMMEN1POLBMAPT
SCHEMBL8738221 0.87 EZH2 (0.80) EZH2MEN1POLBMAPTRECQL
SCHEMBL8738695 0.87 EZH2 (0.91) EZH2SLC2A1
SCHEMBL8738997 0.87 EZH2 (1.00) EZH2MEN1POLBMAPTRECQL
SCHEMBL8738594 0.85 EZH2 (0.77) EZH2MEN1POLBMAPTRECQL
SCHEMBL8739028 0.85 EZH2 (0.80) EZH2MEN1POLBMAPTRECQL
SCHEMBL8738308 0.83 EZH2 (0.73) EZH2MEN1POLBMAPTRECQL
SCHEMBL8738149 0.83 EZH2 (0.76) EZH2MEN1POLBMAPTRECQL

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