SCHEMBL6181067

SCHEMBL6181067

CS(=O)(=O)c1ccc(F)cc1-c1ccc(NC(=O)c2cccnc2-c2cccc([AsH2])c2C=NO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
F10 P00742 3/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
TRPV1 Q8NER1 5/20 0.37
PDPK1 O15530 1/20 0.36
ALDH1A1 P00352 1/20 0.36
IDO1 P14902 1/20 0.36
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
NR3C2 P08235 1/20 0.35
AHR P35869 1/20 0.35
KDR P35968 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6164362 0.91 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL6164926 0.81 F10 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL6181063 0.78 F2 (0.37) F2F10PRSS1PRSS2PRSS3
SCHEMBL6163782 0.76 F10 (0.52) F2F10PRSS1PRSS2PRSS3
SCHEMBL6164359 0.74 F2 (0.39) F2F10PRSS1PRSS2PRSS3
SCHEMBL6164432 0.73 F10 (0.61) F2F10PRSS1PRSS2PRSS3
SCHEMBL6162566 0.73 F10 (0.50) F2F10PRSS1PRSS2PRSS3
SCHEMBL6164003 0.72 F10 (0.60) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7101673 0.71 F10 (0.44) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6166054 0.70 F10 (0.62) F2F10PRSS1PRSS2PRSS3

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 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