SCHEMBL4096654

SCHEMBL4096654

CC=C(F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.62
F2 P00734 6/20 0.62
PRSS1 P07477 6/20 0.62
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL4096651 1.00 F10 (0.62) F10F2PRSS1PRSS2PRSS3
SCHEMBL4348658 0.77 F10 (0.85) F10F2PRSS1
SCHEMBL4352253 0.73 F10 (1.00) F10F2PRSS1
SCHEMBL4352256 0.73 F10 (1.00) F10F2PRSS1
SCHEMBL6244728 0.71 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6185772 0.69 ALOX5AP (0.51) F10F2PRSS1
SCHEMBL9045763 0.67 PTGS2 (0.52) F10
SCHEMBL6565553 0.66 F10 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL8350056 0.66 CA1 (0.54)
SCHEMBL890751 0.65 F10 (0.59) F10

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-2061439-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PLURALITY OF MINI-TABLETS COMPRISING A FACTOR XA INHIBITOR Glaxo Group Limited (GB) 2009-05-27 EP disclosed
WO-2008031782-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PLURALITY OF MINI-TABLETS COMPRISING A FACTOR XA INHIBITOR GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed