SCHEMBL8941440

SCHEMBL8941440

CC(C1CC(c2ccc(C(F)(F)F)cc2)=NO1)N(O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
IKBKB O14920 1/20 0.37
POLB P06746 2/20 0.36
APAF1 O14727 1/20 0.36
GRK2 P25098 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ATM Q13315 1/20 0.36
MIF P14174 4/20 0.36
ALOX5 P09917 3/20 0.35
TEAD1 P28347 2/20 0.35
PTGS2 P35354 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL8941438 0.87 POLB (0.50) HTTPOLBAPAF1GRK2APOBEC3G
SCHEMBL8941420 0.85 MIF (0.38) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL8941571 0.84 ALOX5 (0.47) POLBALOX5NPC1
SCHEMBL8941576 0.80 ALOX5 (0.48) POLBMIFALOX5NPC1
SCHEMBL21066131 0.79 HTT (0.49) HTTPOLBAPAF1GRK2APOBEC3G
SCHEMBL8941751 0.73 ALOX5 (0.53) ALOX5NPC1
SCHEMBL10388512 0.70 POLB (0.71) HTTPOLBAPAF1GRK2APOBEC3G
SCHEMBL21066149 0.69 HTT (0.39) HTTPOLBAPAF1GRK2APOBEC3G
SCHEMBL7969530 0.69 ALOX5 (0.46) POLBALOX5
SCHEMBL7972709 0.69 ALOX5 (0.46) POLBALOX5

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