SCHEMBL7520638

SCHEMBL7520638

CC(C)(C)NS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCC(n3ccc4ccc(C(=N)N)cc43)C2=O)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 12/20 0.35
FPR2 P25090 12/20 0.35
F10 P00742 6/20 0.32
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PRSS1 P07477 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL7505078 0.89 F2 (0.33) FPR1FPR2F10F2PLG
SCHEMBL6853311 0.84 F10 (0.42) F10ALOX5APFEN1
SCHEMBL6859806 0.76 F10 (0.43) F10F2PRSS1
SCHEMBL6853164 0.73 F10 (0.53) FPR1FPR2F10
SCHEMBL6858757 0.67 ALOX5AP (0.36) FPR1FPR2F10ALOX5APFEN1
SCHEMBL6984298 0.65 F10 (0.51) FPR1FPR2F10
SCHEMBL6988835 0.65 F10 (0.47) FPR2F10
SCHEMBL7450780 0.64 IDO1 (0.38) F10
SCHEMBL7554444 0.64 ALOX5AP (0.48) ALOX5APFEN1
SCHEMBL27613671 0.63 FPR1 (0.39) FPR1FPR2F10

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
WO-2002080853-A2 FUSED HETEROCYCLIC INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-17 WO disclosed