SCHEMBL7679996

SCHEMBL7679996

N=C(N)c1cccc(/C(=C\C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)Cn2cccn2)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.81
PRSS1 P07477 4/20 0.55
F2 P00734 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55

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
SCHEMBL7688506 1.00 F10 (0.81) F10PRSS1F2PRSS2PRSS3
SCHEMBL7690239 0.84 F10 (0.88) F10PRSS1F2
SCHEMBL7455481 0.81 F10 (1.00) F10PRSS1F2
SCHEMBL7683937 0.81 F10 (1.00) F10PRSS1F2
SCHEMBL7455475 0.81 F10 (1.00) F10PRSS1F2
SCHEMBL7679990 0.79 F10 (0.73) F10PRSS1F2PRSS2PRSS3
SCHEMBL7688502 0.79 F10 (0.73) F10PRSS1F2PRSS2PRSS3
SCHEMBL7451947 0.79 F10 (1.00) F10PRSS1F2PRSS2PRSS3
SCHEMBL7681967 0.79 F10 (1.00) F10PRSS1F2PRSS2PRSS3
SCHEMBL7451943 0.79 F10 (1.00) F10PRSS1F2PRSS2PRSS3

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-6399627-B1 ANTICOAGULANTS; PROTHROMINASE, SERINE PROTEASE INHIBITOR; ACRYLAMIDE DERIVATIVES COR THERAPEUTICS, INC. 2002-06-04 US disclosed