SCHEMBL8530945

SCHEMBL8530945

C#Cc1cc(C(C)CC)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.53
SLC9A2 Q9UBY0 1/20 0.47

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
SCHEMBL8529744 0.83 SLC9A1 (0.57) SLC9A1SLC9A2
SCHEMBL8534639 0.83 SLC9A1 (0.57) SLC9A1
SCHEMBL8532558 0.83 SLC9A1 (0.76) SLC9A1
SCHEMBL8529221 0.82 SLC9A1 (0.56) SLC9A1SLC9A2
SCHEMBL8534253 0.80 SLC9A1 (0.63) SLC9A1
SCHEMBL8532420 0.80 SLC9A1 (0.54) SLC9A1
SCHEMBL8532895 0.80 SLC9A1 (0.54) SLC9A1SLC9A2
SCHEMBL8581667 0.80 KDM4E (0.33) SLC9A1
SCHEMBL8582509 0.80 SLC9A1 (0.51) SLC9A1SLC9A2
SCHEMBL8575151 0.79 SLC9A1 (0.55) 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