SCHEMBL8533820

SCHEMBL8533820

COc1ccc(-c2cc(C)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.78

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
SCHEMBL8529332 0.88 SLC9A1 (1.00) SLC9A1
SCHEMBL8529319 0.86 SLC9A1 (0.82) SLC9A1
SCHEMBL8534228 0.86 SLC9A1 (0.82) SLC9A1
SCHEMBL8531214 0.85 SLC9A1 (0.81) SLC9A1
SCHEMBL8533971 0.85 SLC9A1 (0.60) SLC9A1
SCHEMBL8439881 0.84 SLC9A1 (0.62) SLC9A1
SCHEMBL8291548 0.83 SLC9A1 (0.77) SLC9A1
SCHEMBL8534275 0.81 SLC9A1 (0.74) SLC9A1
SCHEMBL7768668 0.81 SLC9A1 (0.58) SLC9A1
SCHEMBL7764019 0.80 SLC9A1 (0.57) 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-0699660-B1 Arylbenzoylguanidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5807896-A Arylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 1998-09-15 US disclosed
EP-0699660-A2 Arylbenzoylguanidines MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed