SCHEMBL7798804

SCHEMBL7798804

C=CCCc1cc(C)c(C(=O)N=C(N)N)cc1S(C)(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.64

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
SCHEMBL7802061 0.88 SLC9A1 (0.50) SLC9A1
SCHEMBL7793049 0.88 SLC9A1 (0.64) SLC9A1
SCHEMBL7793044 0.88 SLC9A1 (0.64) SLC9A1
SCHEMBL7799018 0.88 SLC9A1 (0.67) SLC9A1
SCHEMBL7793173 0.86 SLC9A1 (0.61) SLC9A1
SCHEMBL7793176 0.86 SLC9A1 (0.61) SLC9A1
SCHEMBL8534309 0.85 SLC9A1 (0.70) SLC9A1
SCHEMBL8529685 0.83 SLC9A1 (0.76) SLC9A1
SCHEMBL8529013 0.83 SLC9A1 (0.67) SLC9A1
SCHEMBL8533979 0.82 SLC9A1 (0.65) 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-0760365-B1 Alkenyl-benzoylguanidines MERCK PATENT GMBH (DE) 2001-01-03 EP disclosed
US-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
EP-0760365-A2 Alkenyl-benzoylguanidines MERCK PATENT GmbH (DE) 1997-03-05 EP disclosed