SCHEMBL8941395

SCHEMBL8941395

NC(=O)N(O)CC1CC(c2ccc(F)cc2)=NO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
APAF1 O14727 1/20 0.52
GRK2 P25098 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
MIF P14174 5/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX5 P09917 3/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6853296 0.76 POLB (0.53) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL6021765 0.76 POLB (0.56) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL5994924 0.76 POLB (0.56) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL5994929 0.76 POLB (0.56) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL5997363 0.73 APAF1 (0.53) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL5995363 0.73 APAF1 (0.53) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL7463485 0.73 POLB (0.53) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL8941438 0.72 POLB (0.50) POLBAPAF1GRK2APOBEC3GRAB9A
SCHEMBL2921731 0.72
SCHEMBL12518921 0.71 NPC1 (0.62) POLBAPAF1GRK2APOBEC3GMIF

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