SCHEMBL3830164

SCHEMBL3830164

Cc1cc(C(=O)Nc2ncc(-c3ccccc3S(C)(=O)=O)cn2)n(-c2cccc(C(N)=O)c2)n1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.77
F2 P00734 13/20 0.77
PRSS1 P07477 12/20 0.77
PRSS2 P07478 12/20 0.77
PRSS3 P35030 12/20 0.77
F9 P00740 1/20 0.60

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
SCHEMBL3830065 0.94 F2 (0.88) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3831041 0.89 F2 (0.79) F10F2PRSS1PRSS2PRSS3
SCHEMBL29457993 0.87 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830352 0.86 F10 (0.67) F10F2PRSS1PRSS2PRSS3
SCHEMBL3834806 0.85 F2 (0.88) F10F2PRSS1PRSS2PRSS3
SCHEMBL3836013 0.84 F2 (0.82) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830092 0.81 F10 (0.79) F10F2PRSS1PRSS2PRSS3
SCHEMBL3836416 0.80 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830178 0.80 F2 (0.89) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3834109 0.80 F2 (0.79) F10F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP claimed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US claimed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed