SCHEMBL8580414

SCHEMBL8580414

CCc1cc(C(C)C)c(C(=O)N=C(N)N)cc1S(C)(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.64
SLC9A2 Q9UBY0 1/20 0.56

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
SCHEMBL8528649 0.90 SLC9A1 (0.54) SLC9A1
SCHEMBL8529807 0.89 SLC9A1 (0.53) SLC9A1SLC9A2
SCHEMBL8528654 0.89 SLC9A1 (0.71) SLC9A1SLC9A2
SCHEMBL8534951 0.86 SLC9A1 (0.61) SLC9A1
SCHEMBL8533266 0.83 SLC9A1 (0.80) SLC9A1SLC9A2
SCHEMBL8529685 0.83 SLC9A1 (0.76) SLC9A1
SCHEMBL8534122 0.83 SLC9A1 (0.67) SLC9A1SLC9A2
SCHEMBL8580836 0.82 SLC9A1 (0.57) SLC9A1
SCHEMBL8530195 0.82 SLC9A1 (0.57) SLC9A1
SCHEMBL8534639 0.82 SLC9A1 (0.57) 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-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed