SCHEMBL6167429

SCHEMBL6167429

Cc1ccc(C(=O)Nc2ccc(-c3ccccc3C#N)cc2)c(-c2cccc(C(=N)N)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.53
F2 P00734 15/20 0.53
PRSS1 P07477 13/20 0.53
PRSS2 P07478 13/20 0.53
PRSS3 P35030 13/20 0.53
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL7100867 0.94 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164014 0.86 F10 (0.72) F10F2PRSS1PRSS2PRSS3
SCHEMBL6162160 0.84 F10 (0.73) F10F2PRSS1PRSS2PRSS3
SCHEMBL6167434 0.83 PSEN1 (0.41) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7107119 0.80 F10 (0.68) F10F2PRSS1PRSS2PRSS3
SCHEMBL6163142 0.76 F10 (0.39) F10
SCHEMBL7103085 0.74 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL6163134 0.72 F10 (0.38) F10
SCHEMBL6164849 0.71 F10 (0.64) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164000 0.71 F10 (0.85) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed