SCHEMBL8159253

SCHEMBL8159253

NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Cl)ccc3c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.77
F2 P00734 8/20 0.77
PRSS1 P07477 3/20 0.69
PRSS2 P07478 2/20 0.68
PRSS3 P35030 2/20 0.68

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
SCHEMBL8170658 0.93 F10 (0.76) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166928 0.91 F10 (0.70) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166097 0.90 F10 (0.71) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166242 0.90 F10 (0.71) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166221 0.88 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8157551 0.82 F10 (1.00) F10
SCHEMBL8165972 0.81 F10 (0.68) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166248 0.81 F10 (0.61) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166779 0.81 F10 (0.61) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165941 0.80 F10 (0.78) F10F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed