SCHEMBL8056953

SCHEMBL8056953

CC1(C)CS(=O)(=O)c2cc(C(=O)N=C(N)N)ccc2S1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
HTR7 P34969 2/20 0.38
HTR2B P41595 2/20 0.38
DRD2 P14416 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL8045071 0.81
SCHEMBL8057005 0.80 RARA (0.48)
SCHEMBL8060627 0.78 HTR7 (0.43) SLC9A1SLC9A2HTR7HTR2BDRD2
SCHEMBL8058146 0.78 SLC9A1 (0.44) SLC9A1SLC9A2HTR7HTR2BDRD2
SCHEMBL8056348 0.77 HTR7 (0.42) SLC9A1SLC9A2HTR7HTR2BDRD2
SCHEMBL8045175 0.76 HTR7 (0.44) SLC9A1SLC9A2HTR7HTR2BDRD2
SCHEMBL8062767 0.75 HTR7 (0.40) SLC9A1SLC9A2HTR7HTR2BDRD2
SCHEMBL8057125 0.75 SLC9A1 (0.38) SLC9A1HTR7HTR2B
SCHEMBL8056214 0.75 SLC9A1 (0.46) SLC9A1SLC9A2HTR7HTR2B
SCHEMBL8060649 0.75 HTR7 (0.40) SLC9A1SLC9A2HTR7HTR2BDRD2

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-6028069-A Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) 2000-02-22 US disclosed