SCHEMBL7230488

SCHEMBL7230488

Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n(-c2cccc(C(=N)N)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.67
F10 P00742 12/20 0.67
PRSS1 P07477 12/20 0.67
PRSS2 P07478 12/20 0.67
PRSS3 P35030 12/20 0.67
F9 P00740 2/20 0.63
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL3834915 0.86 F10 (0.76) F2F10PRSS1PRSS2PRSS3
SCHEMBL3829612 0.85 F10 (0.70) F2F10PRSS1PRSS2PRSS3
SCHEMBL3831557 0.84 F10 (0.72) F2F10PRSS1PRSS2PRSS3
SCHEMBL3835941 0.82 F10 (0.69) F2F10PRSS1PRSS2PRSS3
SCHEMBL7398441 0.82 F10 (0.69) F2F10PRSS1PRSS2PRSS3
SCHEMBL3836073 0.81 F10 (0.70) F2F10PRSS1PRSS2PRSS3
SCHEMBL3830187 0.80 F10 (0.72) F2F10PRSS1PRSS2PRSS3
SCHEMBL3829898 0.80 F10 (0.77) F2F10PRSS1PRSS2PRSS3
SCHEMBL3831575 0.80 F10 (0.63) F2F10PRSS1PRSS2PRSS3
SCHEMBL3831563 0.79 F10 (0.75) F2F10PRSS1PRSS2PRSS3

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
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US claimed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP claimed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO 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 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