Bromide

Bromide

SCHEMBL10896153

Br.CC(CN)SS(C)(=O)=O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.30

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
Bromoethanamine SCHEMBL10495217 0.89 TRPA1 (0.35) TRPA1
SCHEMBL14113987 0.74
Bromide SCHEMBL5839228 0.70
SCHEMBL1709053 0.67
SCHEMBL10031061 0.66
SCHEMBL11144268 0.65 TRPA1 (0.36) TRPA1ALDH1A1
SCHEMBL16916992 0.63 TRPA1 (0.46) TRPA1
SCHEMBL28646924 0.62 ALDH1A1 (0.44) ALDH1A1
SCHEMBL10770442 0.62
Sulfuric Acid SCHEMBL2127327 0.61 TP53 (0.41) TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4614712-A Immunoassays with luciferase labeled ligands or receptors THE UPJOHN COMPANY (US) 1986-09-30 US disclosed
EP-0117693-A2 Enzyme-linked immunoassay, assay kits and pair-binding compounds THE UPJOHN COMPANY (US) 1984-09-05 EP disclosed