SCHEMBL8533450

SCHEMBL8533450

Cc1cccc(-c2cc(C)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.76
SLC9A3 P48764 1/20 0.56
SLC9A2 Q9UBY0 1/20 0.56

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
SCHEMBL8531214 0.89 SLC9A1 (0.81) SLC9A1
SCHEMBL8529614 0.88 SLC9A1 (0.69) SLC9A1
SCHEMBL8529732 0.87 SLC9A1 (0.58) SLC9A1
SCHEMBL8529319 0.87 SLC9A1 (0.82) SLC9A1
SCHEMBL8529332 0.86 SLC9A1 (1.00) SLC9A1
SCHEMBL14176847 0.85 SLC9A1 (0.65) SLC9A1
SCHEMBL8533844 0.83 SLC9A1 (0.76) SLC9A1
SCHEMBL8534228 0.82 SLC9A1 (0.82) SLC9A1
SCHEMBL8446461 0.81 SLC9A1 (0.69) SLC9A1SLC9A3SLC9A2
SCHEMBL8534449 0.81 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 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