SCHEMBL6932137

SCHEMBL6932137

Cc1cccc(S(=O)(=O)c2cc(C)c(C(=O)N=C(N)N)cc2[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.48
SLC9A3 P48764 1/20 0.41
SLC9A2 Q9UBY0 1/20 0.41

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
SCHEMBL6932550 0.90 SLC9A1 (0.51) SLC9A1
SCHEMBL6933356 0.90 MAPT (0.48) SLC9A1
SCHEMBL6936197 0.89 SLC9A1 (0.52) SLC9A1
SCHEMBL6937331 0.89 SLC9A1 (0.40) SLC9A1
SCHEMBL6936292 0.87 SLC9A1 (0.44) SLC9A1
SCHEMBL27467070 0.87 ABCC9 (0.39)
SCHEMBL6935453 0.85 SLC9A1 (0.50) SLC9A1
SCHEMBL6937014 0.85 SLC9A1 (0.50) SLC9A1
SCHEMBL6936888 0.85 SLC9A1 (0.50) SLC9A1
SCHEMBL6938116 0.82 SLC9A1 (0.70) SLC9A1SLC9A3SLC9A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758644-B1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GMBH (DE) 2003-10-15 EP disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
EP-0758644-A1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed
EP-0750617-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-01-02 EP disclosed
WO-1995025104-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 1995-09-21 WO disclosed