SCHEMBL3834734

SCHEMBL3834734

NC(=O)c1cccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.73
F2 P00734 15/20 0.73
PRSS1 P07477 9/20 0.70
PRSS2 P07478 8/20 0.70
PRSS3 P35030 8/20 0.70

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
SCHEMBL3833536 0.84 F2 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166019 0.81 F10 (0.69) F10F2PRSS1PRSS2PRSS3
SCHEMBL3829855 0.80 F2 (0.89) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830390 0.79 F2 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL3836037 0.76 F2 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8170658 0.75 F10 (0.76) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831794 0.74 F2 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL3834452 0.74 F2 (0.82) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166097 0.74 F10 (0.71) F10F2PRSS1PRSS2PRSS3
SCHEMBL8159253 0.72 F10 (0.77) 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 6 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
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