SCHEMBL6166097

SCHEMBL6166097

Cc1cc(-c2ccc(-c3ccccc3S(C)(=O)=O)cc2)c(C(N)=O)c(-c2cccc(N)c2C=NO)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.38
F2 P00734 5/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
F10 P00742 11/20 0.35
LRRK2 Q5S007 1/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KLKB1 P03952 1/20 0.33

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
SCHEMBL6166090 0.93 ALOX5AP (0.32) IKBKBF2PRSS1PRSS2PRSS3
SCHEMBL7104633 0.79 F10 (0.46) F2PRSS1PRSS2PRSS3F10
SCHEMBL6164926 0.72 F10 (0.51) F2PRSS1PRSS2PRSS3F10
SCHEMBL25439559 0.66 GAA (0.47) IKBKB
SCHEMBL6167430 0.65 ALDH1A1 (0.37) IKBKB
SCHEMBL6303170 0.65 MKNK1 (0.54) F2PRSS1PRSS2PRSS3F10
SCHEMBL6162566 0.64 F10 (0.50) F2PRSS1PRSS2PRSS3F10
SCHEMBL28790250 0.62 IKBKB (0.54) IKBKB
SCHEMBL5171111 0.62 BAZ2B (0.50) F2PRSS1PRSS2PRSS3F10
SCHEMBL3830209 0.61 PTGS2 (0.48) ALOX5APFEN1

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