SCHEMBL9040376

SCHEMBL9040376

C[n+]1ccccc1.C[n+]1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
SLC22A3 O75751 1/20 0.47
SLC6A4 P31645 1/20 0.47
CHAT P28329 2/20 0.41
HDAC8 Q9BY41 14/20 0.37

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
Phosphine SCHEMBL28449233 1.00
SCHEMBL27002 1.00
Iodide SCHEMBL11870888 0.96 SLC22A2 (0.45) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Iodide SCHEMBL303013 0.96
Fluoride Ion SCHEMBL1502781 0.96
SCHEMBL17810308 0.96 SLC22A2 (0.45) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
SCHEMBL20543430 0.96
Fluoride SCHEMBL21633960 0.96 SLC22A2 (0.45) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Ethane SCHEMBL22264538 0.96
Hydrochloric Acid SCHEMBL3738031 0.96

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
CN-115702344-A Target molecule redox method and target molecule redox device 松下知识产权经营株式会社 2023-02-14 CN disclosed
EP-0273610-B1 Herbicidal pyridinesulfonylureas DU PONT (US) 1996-09-11 EP disclosed
US-4766071-A USING ALKANOLS AND ALKANALS AND ENZYME OBTAINED BY LYSIS OF CELL SUSPENSION HENKEL KOMMANDITGESELLSHAFT AUF AKTIEN (DE) 1988-08-23 US disclosed
EP-0195230-A2 Process for regenerating coenzymes Henkel Kommanditgesellschaft auf Aktien (DE) 1986-09-24 EP disclosed