SCHEMBL7064510

SCHEMBL7064510

COCCN(Nc1cccc(C(=N)N)c1)C(=O)Nc1ccccc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.50
F2 P00734 6/20 0.50
PRSS2 P07478 5/20 0.50
PRSS3 P35030 5/20 0.50
F10 P00742 17/20 0.48
PLG P00747 3/20 0.46
PLAT P00750 2/20 0.46
KLK1 P06870 2/20 0.46
F7 P08709 1/20 0.45
PROC P04070 1/20 0.45

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
SCHEMBL7059969 0.91 F10 (0.49) PRSS1F2PRSS2PRSS3F10
SCHEMBL6224499 0.89 F10 (0.60) PRSS1F2PRSS2PRSS3F10
SCHEMBL7064516 0.86 PRSS1 (0.45) PRSS1F2PRSS2PRSS3F10
SCHEMBL6224300 0.83 F10 (0.57) PRSS1F2PRSS2PRSS3F10
SCHEMBL7064382 0.82 F10 (0.44) PRSS1F2PRSS2PRSS3F10
SCHEMBL6221817 0.80 F10 (0.61) PRSS1F2PRSS2PRSS3F10
SCHEMBL6223414 0.79 F10 (0.61) PRSS1F2PRSS2PRSS3F10
SCHEMBL6224903 0.78 F10 (0.59) PRSS1F2PRSS2PRSS3F10
SCHEMBL7059974 0.78 F10 (0.44) PRSS1F2PRSS2PRSS3F10
SCHEMBL6226434 0.77 F10 (0.61) PRSS1F2PRSS2PRSS3F10

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