SCHEMBL8062892

SCHEMBL8062892

CC1C=Cc2ccc(C(=O)N=C(N)N)cc2S1(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.42
HTR7 P34969 4/20 0.42
SLC9A1 P19634 3/20 0.40
SLC9A2 Q9UBY0 1/20 0.40

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
SCHEMBL8058239 0.81
SCHEMBL8045245 0.76
SCHEMBL8062884 0.74 SLC9A1 (0.40) HTR2BHTR7SLC9A1SLC9A2
SCHEMBL8056981 0.73 HTR2B (0.41) HTR2BHTR7SLC9A1SLC9A2
SCHEMBL8056243 0.72 HTR2B (0.43) HTR2BHTR7SLC9A1SLC9A2
SCHEMBL8060822 0.72 HTR2B (0.46) HTR2BHTR7SLC9A1
SCHEMBL8056282 0.72 KDM4E (0.40) HTR2BHTR7SLC9A1SLC9A2
SCHEMBL8058131 0.71 HTR7 (0.40) HTR2BHTR7SLC9A1SLC9A2
SCHEMBL8058156 0.71 HTR2B (0.45) HTR2BHTR7
SCHEMBL8056192 0.70 HTR2B (0.44) HTR2BHTR7

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