SCHEMBL8664936

SCHEMBL8664936

CC#Cc1cc(C)c(C(=O)N=C(N)N)cc1S(C)(=O)=O

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.72

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
SCHEMBL8043534 0.86 SLC9A1 (0.72) SLC9A1
SCHEMBL7799001 0.86 SLC9A1 (0.72) SLC9A1
Hydrochloric Acid SCHEMBL8975084 0.85 SLC9A1 (0.70) SLC9A1
SCHEMBL8668876 0.84 SLC9A1 (0.53) SLC9A1
Rimeporide SCHEMBL30309010 0.84 SLC9A1 (1.00) SLC9A1
Rimeporide SCHEMBL1019633 0.84 SLC9A1 (1.00) SLC9A1
SCHEMBL8531009 0.83 SLC9A1 (0.85) SLC9A1
Rimeporide SCHEMBL29406681 0.83 SLC9A1 (0.97) SLC9A1
Rimeporide SCHEMBL1022632 0.83 SLC9A1 (0.97) SLC9A1
Rimeporide SCHEMBL16712399 0.83 SLC9A1 (0.97) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed