SCHEMBL7019484

SCHEMBL7019484

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
EPHX1 P07099 1/20 0.43
PRSS1 P07477 4/20 0.43
PTGS2 P35354 1/20 0.42
PLG P00747 1/20 0.42
PROC P04070 1/20 0.42
SCN9A Q15858 1/20 0.42
F2 P00734 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL7027094 0.86 F10 (0.45) F10CA12CA1CA2CA9
SCHEMBL7025525 0.82 F10 (0.44) F10PRSS1SCN9AF2
SCHEMBL7027056 0.82 F10 (0.49) F10CA12CA1CA2CA9
SCHEMBL7024688 0.82 F10 (0.43) F10PRSS1SCN9AF2
SCHEMBL29031806 0.81 PTGS2 (0.59) EPHX1PTGS2
SCHEMBL8350056 0.79 CA1 (0.54) CA12CA1CA2CA9PTGS2
SCHEMBL22404548 0.78 EPHX1 (0.47) CA12CA1CA2CA9EPHX1
SCHEMBL7027498 0.78 MMP3 (0.47) F10CA1CA2PRSS1SCN9A
SCHEMBL28775715 0.77 SCN9A (0.48) EPHX1PTGS2SCN9A
SCHEMBL2357849 0.77 NPSR1 (0.54) EPHX1PTGS2

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