SCHEMBL7967893

SCHEMBL7967893

N=C(N)c1ccc2c(c1)[nH]c(=O)n2CC(=O)Nc1ccccc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.49
PRSS1 P07477 18/20 0.49
F2 P00734 14/20 0.49
F9 P00740 2/20 0.44
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL6616732 0.73 F10 (0.78) F10PRSS1F2F9PLG
SCHEMBL6614149 0.72 F10 (0.43) F10PRSS1F2F9
SCHEMBL8019749 0.66 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7438112 0.64 F10 (0.59) F10PRSS1F2F9PLG
SCHEMBL12132476 0.64 F10 (0.75) F10PRSS1PLGPLATKLK1
SCHEMBL8019753 0.64 F10 (0.66) F10PRSS1F2F9PRSS2
SCHEMBL8032829 0.64 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7361157 0.64 F10 (0.64) F10PRSS1F2F9PRSS2
SCHEMBL7059969 0.62 F10 (0.49) F10PRSS1F2PLGPLAT
SCHEMBL12132413 0.62 F10 (0.66) F10PRSS1PLGPLATKLK1

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-6207697-B1 AMIDINYL-SUBSTITUTED RINGS; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; STROKES; SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-03-27 US disclosed