SCHEMBL7798517

SCHEMBL7798517

Cc1cc(Sc2ccccc2F)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.60

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
SCHEMBL6938541 0.90 SLC9A1 (0.64) SLC9A1
SCHEMBL7800539 0.87
SCHEMBL6935472 0.87 SLC9A1 (0.60) SLC9A1
SCHEMBL6933370 0.87 SLC9A1 (0.60) SLC9A1
SCHEMBL6935220 0.86 SLC9A1 (0.56) SLC9A1
SCHEMBL7798363 0.85 SLC9A1 (0.64) SLC9A1
SCHEMBL7798515 0.83 SLC9A1 (0.61) SLC9A1
SCHEMBL7798601 0.83 SLC9A1 (0.57) SLC9A1
SCHEMBL8927186 0.82 ALDH1A1 (0.40) SLC9A1
SCHEMBL6938169 0.82 SLC9A1 (0.62) 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 3 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
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