SCHEMBL7765490

SCHEMBL7765490

Cc1cc(N(C)c2ccccc2C(F)(F)F)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.55

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
SCHEMBL7764069 0.88 SLC9A1 (0.42) SLC9A1
SCHEMBL7764062 0.86 SLC9A1 (0.58) SLC9A1
SCHEMBL7765580 0.84 SLC9A1 (0.58) SLC9A1
SCHEMBL8632865 0.84 RORC (0.36)
SCHEMBL7766587 0.83 SLC9A1 (0.62) SLC9A1
SCHEMBL7764017 0.82 SLC9A1 (0.56) SLC9A1
SCHEMBL7766601 0.82 SLC9A1 (0.56) SLC9A1
SCHEMBL7761277 0.82 SLC9A1 (0.55) SLC9A1
SCHEMBL7069444 0.80 SLC9A1 (0.65) SLC9A1
SCHEMBL7797751 0.80 SLC9A1 (0.72) SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725062-B1 4-mercapto-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 2001-06-13 EP disclosed
EP-0723963-B1 4-amino-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 2001-06-13 EP disclosed
EP-0704431-B1 Ortho-substituted benzoic acid derivatives MERCK PATENT GMBH (DE) 2000-05-24 EP disclosed
EP-0708088-B1 Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives MERCK PATENT GMBH (DE) 1999-03-24 EP disclosed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed
EP-0725062-A1 4-mercapto-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-08-07 EP disclosed
EP-0723963-A1 4-amino-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed
EP-0708088-A1 Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1996-04-24 EP disclosed
EP-0704431-A2 Ortho-substituted benzoic acid derivatives MERCK PATENT GmbH (DE) 1996-04-03 EP disclosed