SCHEMBL8531981

SCHEMBL8531981

CCCC(CC)c1ccc(C(=O)N=C(N)N)c(Br)c1S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
SLC9A2 Q9UBY0 1/20 0.41

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
SCHEMBL8529735 0.93 SLC9A1 (0.44) SLC9A1SLC9A2
SCHEMBL8530168 0.87 SLC9A1 (0.42) SLC9A1SLC9A2
SCHEMBL8529999 0.86 SLC9A1 (0.39) SLC9A1SLC9A2
SCHEMBL8529089 0.86 SLC9A1 (0.39) SLC9A1SLC9A2
SCHEMBL27351350 0.86
SCHEMBL8530580 0.85 SLC9A1 (0.38) SLC9A1SLC9A2
SCHEMBL8532443 0.85 SLC9A1 (0.46) SLC9A1SLC9A2
SCHEMBL8530184 0.84 SLC9A1 (0.37) SLC9A1SLC9A2
SCHEMBL8528313 0.82 SLC9A1 (0.35) SLC9A1SLC9A2
SCHEMBL8585559 0.80 KDM4E (0.34)

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