SCHEMBL8529698

SCHEMBL8529698

COc1cc(C)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.65

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
SCHEMBL8438219 0.89 SLC9A1 (0.74) SLC9A1
SCHEMBL8529800 0.89 SLC9A1 (0.54) SLC9A1
SCHEMBL8531009 0.84 SLC9A1 (0.85) SLC9A1
SCHEMBL8529914 0.84 SLC9A1 (0.55) SLC9A1
SCHEMBL8534239 0.84 SLC9A1 (0.70) SLC9A1
SCHEMBL8572621 0.83 SLC9A1 (0.53) SLC9A1
SCHEMBL8578521 0.82 SLC9A1 (0.52) SLC9A1
SCHEMBL8534275 0.81 SLC9A1 (0.74) SLC9A1
SCHEMBL8438253 0.81 SLC9A1 (0.62) SLC9A1
SCHEMBL8532879 0.81 SLC9A1 (0.58) 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
US-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed
EP-0699663-B1 Alkyl-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 1998-11-04 EP disclosed
EP-0699663-A1 Alkyl-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed