SCHEMBL6167423

SCHEMBL6167423

N#Cc1ccc(-c2ccccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.62
PRSS1 P07477 3/20 0.62
PRSS2 P07478 3/20 0.62
PRSS3 P35030 3/20 0.62
F2 P00734 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL7104688 0.91 F10 (0.54) F10PRSS1PRSS2PRSS3F2
SCHEMBL12700425 0.86 CA1 (0.56) CA12CA1CA2CA9
SCHEMBL6165511 0.84 F10 (0.46) F10PRSS1PRSS2PRSS3CHRNB2
SCHEMBL16088831 0.84 CHRNB2 (0.71) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16127992 0.81 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12131737 0.81 F10 (0.61) F10PRSS1PRSS2PRSS3F2
SCHEMBL10143290 0.79 F10 (0.59) F10PRSS1PRSS2PRSS3F2
SCHEMBL6793819 0.79 RXFP1 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6167425 0.78 F10 (0.43) F10PRSS1PRSS2PRSS3CA12
SCHEMBL12700257 0.77 BCAT2 (0.52) CA12CA1CA2CA9

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