SCHEMBL8529534

SCHEMBL8529534

C#Cc1c(C(=O)N=C(N)N)ccc(-c2ccc(Cl)cc2)c1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.39
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR2B P41595 1/20 0.34

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
SCHEMBL8532246 0.90 SLC9A1 (0.43) SLC9A1
SCHEMBL8610375 0.84 PTGS2 (0.39) IKBKBCHUKPTGS1PTGS2
SCHEMBL8533389 0.76 SLC9A1 (0.38) SLC9A1IKBKBCHUKHTR2B
SCHEMBL27369644 0.75 PTGS2 (0.36) IKBKBCHUKPTGS2
SCHEMBL8610258 0.72 PTGS2 (0.39) IKBKBCHUKPTGS2
SCHEMBL8533060 0.69 SLC9A1 (0.40) SLC9A1IKBKBCHUKHTR2B
SCHEMBL8528444 0.69 SLC9A1 (0.50) SLC9A1
SCHEMBL8533224 0.67 SLC9A1 (0.49) SLC9A1PTGS1PTGS2
SCHEMBL8533404 0.67 HTR2B (0.39) SLC9A1IKBKBCHUKHTR2B
SCHEMBL8533081 0.67 SLC9A1 (0.40) 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