SCHEMBL7106774

SCHEMBL7106774

CCCNC(=O)Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
F10 P00742 1/20 0.50
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP3 P08254 1/20 0.43

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
SCHEMBL7027503 0.93 HPGD (0.54) SCN9ACA1CA2CA5ACA7
SCHEMBL7029507 0.92 TRPV1 (0.51) SCN9ACA1CA2CA5ACA7
SCHEMBL7024690 0.90 SCN9A (0.52) SCN9ACA1CA2CA5ACA7
SCHEMBL7019485 0.84 F10 (0.54) SCN9ACA1CA2CA5ACA7
SCHEMBL7025531 0.84 HPGD (0.53) SCN9ACA1CA2CA5ACA7
SCHEMBL7030338 0.84 CA12 (0.67) SCN9ACA1CA2CA5ACA7
SCHEMBL7027098 0.81 SCN9A (0.51) SCN9AF10HPGDALDH1A1MMP3
SCHEMBL7024709 0.81 F10 (0.48) SCN9AF10HPGDALDH1A1MMP3
SCHEMBL7027060 0.80 MEN1 (0.62) SCN9ACA1CA2CA5ACA7
SCHEMBL7025057 0.78 SCN9A (0.52) SCN9ACA2F10

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