SCHEMBL8533224

SCHEMBL8533224

Cc1ccc(-c2ccc(C(=O)N=C(N)N)c(CF)c2S(N)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.49
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
SLC9A5 Q14940 1/20 0.35

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
SCHEMBL8534496 0.91 SLC9A1 (0.55) SLC9A1
SCHEMBL8533064 0.84 PTGS1 (0.40) PTGS1PTGS2
SCHEMBL8533826 0.83 SLC9A1 (0.43) SLC9A1
SCHEMBL8533081 0.79 SLC9A1 (0.40) SLC9A1
SCHEMBL8531444 0.76 SLC9A1 (0.60) SLC9A1
SCHEMBL8533097 0.73 PTGS2 (0.38) SLC9A1PTGS2
SCHEMBL8533060 0.72 SLC9A1 (0.40) SLC9A1
SCHEMBL8533960 0.71 SLC9A1 (0.73) SLC9A1
SCHEMBL8532048 0.71 SLC9A1 (0.43) SLC9A1
SCHEMBL8532555 0.71 SLC9A1 (0.81) 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