SCHEMBL6164239

SCHEMBL6164239

CCOC(=O)c1ccn(Cc2cc(C(=N)N)c(-c3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc2OC(=O)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 17/20 0.42
F10 P00742 16/20 0.42
PRSS2 P07478 9/20 0.40
PRSS3 P35030 9/20 0.40
F2 P00734 9/20 0.40
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
F7 P08709 1/20 0.38

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
SCHEMBL6167781 0.82 F10 (0.47) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6167777 0.73 F10 (0.53) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6164772 0.70 PRSS1 (0.59) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6167772 0.65 F10 (0.42) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6167787 0.65 F10 (0.42) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6166404 0.64 PRSS1 (0.53) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7101536 0.63 PRSS1 (0.51) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6164234 0.63 PRSS1 (0.48) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6163788 0.63 PRSS1 (0.51) PRSS1F10PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6164769 0.62 PRSS1 (0.45) PRSS1F10PRSS2PRSS3F2

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 3 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 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