SCHEMBL9624067

SCHEMBL9624067

C[n+]1ccccc1.O=[N+]([O-])[O-]

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
SLC6A4 P31645 1/20 0.36
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.32
CHAT P28329 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL27002 0.80
SCHEMBL9040376 0.80 SLC22A2 (0.47) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Phosphine SCHEMBL28449233 0.80
Formaldehyde SCHEMBL28095212 0.78 SLC22A2 (0.41) SLC22A2SLC22A1SLC22A3SLC6A4USP2
SCHEMBL17810308 0.77 SLC22A2 (0.45) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Iodide SCHEMBL11870888 0.77 SLC22A2 (0.45) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Iodide SCHEMBL303013 0.77
Ethane SCHEMBL22264538 0.77
Fluoride Ion SCHEMBL1502781 0.77
SCHEMBL20543430 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013028574-A2 AQUEOUS LITHIUM AIR BATTERIES POLYPLUS BATTERY COMPANY (US) 2013-02-28 WO claimed
EP-3008041-A1 3-CARBAMOYL-1 -METHYLPYRIDINIUM NITRITE, PROCESS FOR ITS PREPARATION AND ITS USE Uniwersytet Jagiellonski (PL) 2016-04-20 EP disclosed
WO-2014200373-A1 3-CARBAMOYL-1 -METHYLPYRIDINIUM NITRITE, PROCESS FOR ITS PREPARATION AND ITS USE Uniwersytet Jagielloński (PL) 2014-12-18 WO disclosed
WO-2013028574-A2 AQUEOUS LITHIUM AIR BATTERIES POLYPLUS BATTERY COMPANY (US) 2013-02-28 WO disclosed
EP-0145906-B1 CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-11 EP disclosed
US-4622318-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-11-11 US disclosed
EP-0145906-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-26 EP disclosed