SCHEMBL8438253

SCHEMBL8438253

COc1ccccc1Oc1cc(C)c(C(=O)N=C(N)N)cc1S(C)(=O)=O

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 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
SCHEMBL8838310 0.92 SLC9A1 (0.64) SLC9A1
SCHEMBL8441521 0.89 SLC9A1 (0.57) SLC9A1
SCHEMBL8438219 0.89 SLC9A1 (0.74) SLC9A1
SCHEMBL8438237 0.89 SLC9A1 (0.60) SLC9A1
SCHEMBL8443381 0.89 SLC9A1 (0.60) SLC9A1
SCHEMBL8363880 0.87 SLC9A1 (0.64) SLC9A1
SCHEMBL8441923 0.86
Hydrochloric Acid SCHEMBL8838460 0.86 SLC9A1 (0.62) SLC9A1
SCHEMBL8439881 0.86 SLC9A1 (0.62) SLC9A1
SCHEMBL8440571 0.86 SLC9A1 (0.56) 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