SCHEMBL7688608

SCHEMBL7688608

COC(=O)CN(C(=O)/C(F)=C(/C)c1cccc(C(=N)N)c1)c1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.63
F2 P00734 12/20 0.63
PRSS1 P07477 12/20 0.63
KCNH2 Q12809 1/20 0.63
PRSS2 P07478 7/20 0.62
PRSS3 P35030 7/20 0.62
PLG P00747 2/20 0.62
PLAT P00750 2/20 0.62
F7 P08709 2/20 0.62

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
SCHEMBL7447865 1.00 F10 (0.63) F10F2PRSS1KCNH2PRSS2
SCHEMBL7690621 0.78 F10 (1.00) F10F2PRSS1KCNH2
SCHEMBL7688293 0.78 F10 (1.00) F10F2PRSS1KCNH2
SCHEMBL7454643 0.77 F2 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL7451721 0.77 F2 (0.41) F10F2PRSS1KCNH2PRSS2
SCHEMBL7690246 0.77 F2 (0.41) F10F2PRSS1KCNH2PRSS2
SCHEMBL7458848 0.76 F2 (1.00) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7463240 0.73 F2 (1.00) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7552245 0.73 F2 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL7080780 0.72 F10 (0.54) F10F2PRSS1KCNH2PRSS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399627-B1 ANTICOAGULANTS; PROTHROMINASE, SERINE PROTEASE INHIBITOR; ACRYLAMIDE DERIVATIVES COR THERAPEUTICS, INC. 2002-06-04 US disclosed
EP-1159264-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-12-05 EP disclosed
WO-2000047554-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2000-08-17 WO disclosed