SCHEMBL3836244

SCHEMBL3836244

CSc1cc(C(=O)O)n(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.47
CARM1 Q86X55 10/20 0.43
BRD4 O60885 2/20 0.43
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
GLS O94925 3/20 0.41
MAPK14 Q16539 1/20 0.40
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3832719 0.91 KLKB1 (0.45) KLKB1CARM1BRD4GLSMAPK14
SCHEMBL18622976 0.87 MAPT (0.48) KLKB1CARM1BRD4GRNSORT1
SCHEMBL4586722 0.86 KLKB1 (0.64) KLKB1CARM1
SCHEMBL18604959 0.84 KLKB1 (0.45) KLKB1CARM1BRD4
SCHEMBL20579755 0.83 KLKB1 (0.53) KLKB1CARM1GRNSORT1
SCHEMBL18604705 0.83 KLKB1 (0.45) KLKB1CARM1BRD4GRNSORT1
SCHEMBL20579756 0.82 KLKB1 (0.48) KLKB1CARM1BRD4GRNSORT1
SCHEMBL20579757 0.82 KLKB1 (0.47) KLKB1CARM1BRD4GLSMAPK14
SCHEMBL22417061 0.78 CARM1 (0.59) KLKB1CARM1
SCHEMBL21919181 0.77 CARM1 (0.60) KLKB1CARM1

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 5 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 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