SCHEMBL28011815

SCHEMBL28011815

CC(C)(C)OC(=O)NC(CC(=O)O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.53
ATM Q13315 1/20 0.50
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX5 P09917 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
FFAR1 O14842 1/20 0.47
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CTSS P25774 3/20 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
SCHEMBL3222312 0.89 MAPT (0.52) ATMMAPTSMN1; SMN2ALOX5NPC1
SCHEMBL15423692 0.89 MAPT (0.49) ATMMAPTSMN1; SMN2ALOX5NPC1
SCHEMBL3222299 0.89 MAPT (0.52) ATMMAPTSMN1; SMN2ALOX5NPC1
SCHEMBL29643038 0.89 MAPT (0.52) ATMMAPTSMN1; SMN2ALOX5NPC1
SCHEMBL20204190 0.88 CYP2D6 (0.51) ATMMAPTSMN1; SMN2ALOX5NPC1
SCHEMBL2789840 0.86 PPARG (0.54) MMEATMSMN1; SMN2NPC1RAB9A
SCHEMBL2789835 0.86 PPARG (0.54) MMEATMSMN1; SMN2NPC1RAB9A
SCHEMBL2617240 0.86 PPARG (0.54) MMEATMSMN1; SMN2NPC1RAB9A
SCHEMBL10521504 0.86 KLK5 (0.58) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL10519884 0.86 KLK5 (0.58) MAPTSMN1; SMN2ALOX5NPC1RAB9A

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
CN-102317269-B Novel amino aza heterocyclic carboxamides MERCK PATENT GMBH 2015-06-17 CN disclosed