SCHEMBL7029504

SCHEMBL7029504

CCCCCC(C(N)=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.45
MMP3 P08254 1/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PRSS1 P07477 3/20 0.40
F2 P00734 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
SCN9A Q15858 3/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL7027498 0.96 MMP3 (0.47) F10MMP3CA1CA2PRSS1
SCHEMBL7024688 0.86 F10 (0.43) F10PRSS1F2SCN9A
SCHEMBL7025525 0.81 F10 (0.44) F10PRSS1F2SCN9A
SCHEMBL7030335 0.79 EPHX1 (0.60) F10PRSS1F2PRSS2PRSS3
SCHEMBL2476366 0.78 CA2 (0.50) CA1CA2MMP9MMP8MMP13
SCHEMBL1945087 0.77 EPHX1 (0.54) MMP9MMP8MMP13
SCHEMBL9395046 0.77 MMP9 (0.56) CA1CA2MMP9MMP8MMP13
SCHEMBL675017 0.77 MMP9 (0.56) CA1CA2MMP9MMP8MMP13
SCHEMBL7019484 0.77 F10 (0.47) F10CA1CA2PRSS1F2
SCHEMBL21359023 0.76 EPHX1 (0.53) MMP3MMP9MMP8MMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309549-A1 ACETAMIDE DERIVATIVES AND THE USE THEREOF AS INHIBITORS OF COAGULATION FACTORS XA AND VIIA MERCK PATENT GmbH (DE) 2003-05-14 EP disclosed
WO-2002010127-A1 ACETAMIDE DERIVATIVES AND THE USE THEREOF AS INHIBITORS OF COAGULATION FACTORS XA AND VIIA MERCK PATENT GMBH (DE) 2002-02-07 WO disclosed