SCHEMBL6181063

SCHEMBL6181063

CC1=C([AsH2])C(=NO)CC=C1c1ncccc1C(=O)Nc1ccc(-c2cc(F)ccc2S(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.37
F10 P00742 3/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TRPV1 Q8NER1 5/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
ALDH1A1 P00352 2/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C2 P08235 1/20 0.33
APOB P04114 1/20 0.33
MTTP P55157 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 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
SCHEMBL6164359 0.91 F2 (0.39) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7101673 0.87 F10 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL6164925 0.81 F10 (0.46) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7101266 0.78 F10 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL6181067 0.78 F2 (0.43) F2F10PRSS1PRSS2PRSS3
SCHEMBL6163780 0.77 F10 (0.46) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7107087 0.75 F10 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL6164425 0.74 F10 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL6164362 0.74 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL6162562 0.73 F10 (0.45) 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