SCHEMBL7800587

SCHEMBL7800587

Cc1cc(SC2CCCCC2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.61

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
SCHEMBL7802743 0.99 SLC9A1 (0.62) SLC9A1
SCHEMBL7801760 0.87 SLC9A1 (0.46) SLC9A1
SCHEMBL7798667 0.85 SLC9A1 (0.47) SLC9A1
SCHEMBL9192103 0.83 SLC9A1 (0.57) SLC9A1
SCHEMBL7798356 0.80 SLC9A1 (0.74) SLC9A1
SCHEMBL8529209 0.80 SLC9A1 (0.74) SLC9A1
SCHEMBL6934497 0.79 SLC9A1 (0.71) SLC9A1
SCHEMBL6937359 0.79 SLC9A1 (0.71) SLC9A1
SCHEMBL8529237 0.79 SLC9A1 (0.76) SLC9A1
SCHEMBL7802844 0.78 SLC9A1 (0.70) 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 6 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 claimed
US-5696167-A 4-mercaptobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-09 US claimed
EP-0725062-A1 4-mercapto-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-08-07 EP claimed
EP-0725062-B1 4-mercapto-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 2001-06-13 EP disclosed
US-5696167-A 4-mercaptobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-09 US disclosed
EP-0725062-A1 4-mercapto-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-08-07 EP disclosed