SCHEMBL8439726

SCHEMBL8439726

Cc1cc(OCc2ccccc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.60

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
Hydrochloric Acid SCHEMBL8838380 0.99 SLC9A1 (0.58) SLC9A1
SCHEMBL8438368 0.88
SCHEMBL8442834 0.85 RXRA (0.50)
SCHEMBL8816721 0.84 SLC9A1 (0.53) SLC9A1
SCHEMBL8439131 0.83 SLC9A1 (0.68) SLC9A1
Hydrochloric Acid SCHEMBL8814875 0.83 SLC9A1 (0.52) SLC9A1
SCHEMBL8363880 0.83 SLC9A1 (0.64) SLC9A1
Hydrochloric Acid SCHEMBL8838374 0.82 SLC9A1 (0.67) SLC9A1
SCHEMBL9018724 0.82 SLC9A1 (0.67) SLC9A1
Hydrochloric Acid SCHEMBL8838460 0.82 SLC9A1 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708088-B1 Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives MERCK PATENT GMBH (DE) 1999-03-24 EP disclosed
US-5700839-A ANTIARRYTHMIA AGENTS; ACT AS INHIBITORS OF THE CELLULAR NA+/H+ ANTIPORTER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-23 US disclosed
EP-0708088-A1 Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1996-04-24 EP disclosed