SCHEMBL7059969

SCHEMBL7059969

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.49
PRSS1 P07477 9/20 0.47
F2 P00734 6/20 0.46
PLG P00747 2/20 0.45
PLAT P00750 2/20 0.45
KLK1 P06870 1/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
KCNH2 Q12809 1/20 0.45
F7 P08709 1/20 0.44

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
SCHEMBL7064510 0.91 PRSS1 (0.50) F10PRSS1F2PLGPLAT
SCHEMBL6221817 0.89 F10 (0.61) F10PRSS1F2PRSS2PRSS3
SCHEMBL7059974 0.86 F10 (0.44) F10PRSS1F2PLGPLAT
SCHEMBL6224499 0.80 F10 (0.60) F10PRSS1F2PLGPRSS2
SCHEMBL7064382 0.80 F10 (0.44) F10PRSS1F2PLGPLAT
SCHEMBL6224834 0.78 F10 (0.63) F10PRSS1F2PRSS2PRSS3
SCHEMBL6224300 0.78 F10 (0.57) F10PRSS1F2PLGPRSS2
SCHEMBL7064516 0.78 PRSS1 (0.45) F10PRSS1F2PLGPLAT
SCHEMBL6223414 0.77 F10 (0.61) F10PRSS1F2PRSS2PRSS3
SCHEMBL6225168 0.76 F10 (0.61) F10PRSS1F2PLGPRSS2

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