SCHEMBL5756116

SCHEMBL5756116

Cc1ccc(NS(=O)(=O)Cc2ccc(F)c(F)c2)c(=O)n1C(C(N)=O)C(C)ON=C(N)N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.42
PRSS1 P07477 14/20 0.38
F10 P00742 3/20 0.38
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37

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
Trifluoroacetic Acid SCHEMBL5124174 0.95 F2 (0.40) F2PRSS1F10PRSS2PRSS3
SCHEMBL5754902 0.91 F2 (0.41) F2PRSS1F10PRSS2PRSS3
SCHEMBL5757032 0.89 F2 (0.40) F2PRSS1F10PRSS2PRSS3
SCHEMBL5755510 0.89 F2 (0.44) F2PRSS1F10PRSS2PRSS3
SCHEMBL5755463 0.88 S100A9 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL5754864 0.88 F2 (0.49) F2PRSS1F10PRSS2PRSS3
SCHEMBL5757591 0.87 F2 (0.49) F2PRSS1F10PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5852595 0.86 F2 (0.39) F2PRSS1F10PRSS2PRSS3
SCHEMBL5753969 0.85 F2 (0.50) F2PRSS1F10PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5116083 0.85 F2 (0.40) F2PRSS1F10PRSS2PRSS3

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
EP-1036063-B1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-11-02 EP claimed