SCHEMBL6432399

SCHEMBL6432399

NC(=S)c1cccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(C(N)=S)c2)c1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.84
F2 P00734 4/20 0.59
PPARG P37231 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
Iodide SCHEMBL6432604 0.90 F10 (0.98) F10F2
SCHEMBL6432795 0.89 F10 (0.68) F10F2PPARG
SCHEMBL7430298 0.85 F10 (0.83) F10F2PPARG
SCHEMBL6432419 0.83 F10 (0.71) F10F2PPARG
SCHEMBL30249718 0.83 F10 (0.89) F10F2
SCHEMBL4316499 0.83 F10 (0.89) F10F2
Trifluoroacetic Acid SCHEMBL6436682 0.80 F10 (0.84) F10F2
SCHEMBL6435781 0.79 F10 (0.82) F10F2
Trifluoroacetic Acid SCHEMBL6434371 0.78 F10 (1.00) F10F2
SCHEMBL6436996 0.78 F10 (0.71) 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