SCHEMBL9196826

SCHEMBL9196826

CC(C)COc1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.62
SLC9A2 Q9UBY0 1/20 0.62

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
SCHEMBL9189535 0.90 SLC9A1 (0.52) SLC9A1SLC9A2
SCHEMBL9018728 0.85 SLC9A1 (0.57) SLC9A1SLC9A2
SCHEMBL9189978 0.82 SLC9A1 (0.63) SLC9A1SLC9A2
SCHEMBL8816721 0.81 SLC9A1 (0.53) SLC9A1SLC9A2
SCHEMBL8613418 0.81 SLC9A1 (0.53) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL8816495 0.81 SLC9A1 (0.61) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL8814875 0.80 SLC9A1 (0.52) SLC9A1SLC9A2
SCHEMBL9018730 0.80 SLC9A1 (0.61) SLC9A1SLC9A2
SCHEMBL8917633 0.79 SLC9A1 (0.51) SLC9A1SLC9A2
SCHEMBL9196819 0.79 THRA (0.40) SLC9A1SLC9A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416499-B1 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AG (DE) 1995-04-26 EP disclosed
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5091394-A BENZOYLGUANIDINES, A PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
EP-0416499-A2 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed