SCHEMBL8941462

SCHEMBL8941462

CC(c1cccc(C2CC(c3ccc(F)cc3)=NO2)c1)N(O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARA Q07869 2/20 0.44
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
GRK2 P25098 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALOX5 P09917 3/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK10 P53779 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8941426 0.82 ALOX5 (0.54) PPARGPPARAALOX5
SCHEMBL8941375 0.76 ALOX5 (0.46) PPARGPPARAAPAF1POLBGRK2
SCHEMBL8941404 0.75 ALOX5 (0.54) PPARGPPARAALOX5
SCHEMBL8941438 0.74 POLB (0.50) APAF1POLBGRK2APOBEC3GRAB9A
SCHEMBL8941411 0.73 PPARG (0.43) PPARGPPARAAPAF1POLBGRK2
SCHEMBL9265050 0.71 ATM (0.49) PPARGPPARAAPAF1POLBGRK2
SCHEMBL8941475 0.69 PPARG (0.41) PPARGPPARAAPAF1POLBGRK2
SCHEMBL8941747 0.69 ALOX5 (0.53) PPARGPPARAALOX5
SCHEMBL9473434 0.67 ALOX5 (0.71) ALOX5
SCHEMBL8941395 0.67 POLB (0.52) APAF1POLBGRK2APOBEC3GALOX5

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
US-5552424-A Isoxazolines as antiinflammatory agents PFIZER INC. (US) 1996-09-03 US disclosed