SCHEMBL7481963

SCHEMBL7481963

Nc1nccc2ccc(OC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Br)c3ccccc3)cc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.65
PRSS1 P07477 6/20 0.65
F2 P00734 5/20 0.65
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL7479772 0.91 F10 (0.61) F10PRSS1F2PRSS2PRSS3
SCHEMBL7476336 0.91 F10 (0.66) F10PRSS1F2PRSS2PRSS3
SCHEMBL7475336 0.88 F10 (0.63) F10PRSS1F2PRSS2PRSS3
SCHEMBL7472782 0.85 F10 (0.57) F10PRSS1F2PRSS2PRSS3
SCHEMBL7476586 0.82 F10 (0.57) F10PRSS1F2PRSS2PRSS3
SCHEMBL7484805 0.79 F10 (1.00) F10PRSS1F2PRSS2PRSS3
SCHEMBL7690926 0.78 F10 (0.64) F10PRSS1F2PRSS2PRSS3
SCHEMBL7690925 0.78 F10 (0.64) F10PRSS1F2PRSS2PRSS3
SCHEMBL7482436 0.77 F10 (0.57) F10PRSS1F2PRSS2PRSS3
SCHEMBL4352253 0.76 F10 (1.00) F10PRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183235-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-06 EP disclosed
WO-2000071510-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed