SCHEMBL6436689

SCHEMBL6436689

NC(=S)c1cccc(CNC(=O)c2c(OC(=O)C(F)(F)F)c3cc(N)ccc3n2Cc2cccc(C(N)=S)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.51
F2 P00734 10/20 0.48

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
SCHEMBL6432609 0.96 F10 (0.47) F10F2
SCHEMBL6437263 0.92 F10 (0.61) F10F2
SCHEMBL6439394 0.88 F10 (0.60) F10F2
SCHEMBL6433232 0.85 KLKB1 (0.43) F10F2
SCHEMBL6436628 0.81 KLKB1 (0.46) F10F2
SCHEMBL6434783 0.79 F10 (0.62) F10F2
Trifluoroacetic Acid SCHEMBL6436682 0.76 F10 (0.84) F10F2
Trifluoroacetic Acid SCHEMBL6436685 0.75 F10 (0.49) F10F2
SCHEMBL7421296 0.72 F10 (0.58) F10F2
Trifluoroacetic Acid SCHEMBL6432601 0.72 F10 (0.77) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed