SCHEMBL7690246

SCHEMBL7690246

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.41
PRSS1 P07477 8/20 0.41
PRSS2 P07478 7/20 0.41
PRSS3 P35030 7/20 0.41
F10 P00742 12/20 0.40
PLG P00747 2/20 0.38
PLAT P00750 2/20 0.38
F7 P08709 2/20 0.38
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7451721 1.00 F2 (0.41) F2PRSS1PRSS2PRSS3F10
SCHEMBL7451638 0.80 F10 (0.59) F2PRSS1F10KCNH2
SCHEMBL7688216 0.80 F10 (0.59) F2PRSS1F10KCNH2
SCHEMBL7690248 0.79 ADAMTS4 (0.39)
SCHEMBL7451725 0.79 ADAMTS4 (0.39)
SCHEMBL7368049 0.78 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL7447865 0.77 F10 (0.63) F2PRSS1PRSS2PRSS3F10
SCHEMBL7688608 0.77 F10 (0.63) F2PRSS1PRSS2PRSS3F10
SCHEMBL7459605 0.77 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL7454491 0.75 F2 (0.43) F2PRSS1PRSS2PRSS3F10

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