SCHEMBL8941375

SCHEMBL8941375

CC(C#Cc1ccc(C2CC(c3ccc(F)cc3)=NO2)cc1)N(O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.46
EPHX2 P34913 6/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK10 P53779 1/20 0.41
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
GRK2 P25098 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NPC1 O15118 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.38

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 0.89 ALOX5 (0.54) ALOX5EPHX2PPARGPPARA
SCHEMBL8941404 0.89 ALOX5 (0.54) ALOX5EPHX2PPARGPPARA
SCHEMBL8941411 0.87 PPARG (0.43) ALOX5EPHX2PPARGPPARASMN1; SMN2
SCHEMBL8941580 0.86 ALOX5 (0.46) ALOX5EPHX2
SCHEMBL8941747 0.80 ALOX5 (0.53) ALOX5EPHX2PPARGPPARA
SCHEMBL8941581 0.80 PPARG (0.49) ALOX5EPHX2PPARGPPARA
SCHEMBL9046357 0.78 ALOX5 (0.65) ALOX5EPHX2
SCHEMBL8941589 0.76 PPARG (0.49) ALOX5EPHX2PPARGPPARANPC1
SCHEMBL8941462 0.76 PPARG (0.44) ALOX5PPARGPPARASMN1; SMN2MAPK10
SCHEMBL8941438 0.74 POLB (0.50) SMN1; SMN2ALDH1A1MAPK10APAF1POLB

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