SCHEMBL8533240

SCHEMBL8533240

CC(C)c1cc(-c2ccccc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.60
SLC9A2 Q9UBY0 1/20 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
SCHEMBL8529058 0.90 SLC9A1 (0.49) SLC9A1SLC9A2
SCHEMBL8529024 0.89 SLC9A1 (0.76) SLC9A1SLC9A2
SCHEMBL8532747 0.89 SLC9A1 (0.56) SLC9A1
SCHEMBL8531214 0.85 SLC9A1 (0.81) SLC9A1
SCHEMBL8528823 0.83 SLC9A1 (0.60) SLC9A1
SCHEMBL8529319 0.83 SLC9A1 (0.82) SLC9A1
SCHEMBL8530607 0.80 SLC9A1 (0.57) SLC9A1
SCHEMBL8611031 0.80 PTGS2 (0.48)
SCHEMBL8534943 0.80 SLC9A1 (0.62) SLC9A1SLC9A2
SCHEMBL8533266 0.79 SLC9A1 (0.80) SLC9A1SLC9A2

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