SCHEMBL7059974

SCHEMBL7059974

COCN(Nc1cccc(C(=N)N)c1)C(=O)Nc1cccc(-c2ccccc2)c1S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.44
F2 P00734 6/20 0.43
PRSS1 P07477 9/20 0.42
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
KLK1 P06870 1/20 0.41

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
SCHEMBL7064516 0.92 PRSS1 (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL7059969 0.86 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL6221817 0.83 F10 (0.61) F10F2PRSS1PRSS2PRSS3
SCHEMBL7064385 0.81 F10 (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL7064510 0.78 PRSS1 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL6224499 0.75 F10 (0.60) F10F2PRSS1PRSS2PRSS3
SCHEMBL6224300 0.73 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6224834 0.73 F10 (0.63) F10F2PRSS1PRSS2PRSS3
SCHEMBL6222788 0.73 F10 (0.60) F10F2PRSS1PRSS2PRSS3
SCHEMBL6223414 0.72 F10 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311476-A1 AZA-AMINO ACID DERIVATIVES (FACTOR X A?-INHIBITORS 15) MERCK PATENT GmbH (DE) 2003-05-21 EP disclosed
WO-2002016315-A1 AZA-AMINO ACID DERIVATIVES (FACTOR XA-INHIBITORS 15) MERCK PATENT GMBH (DE) 2002-02-28 WO disclosed