Bromide

Bromide

SCHEMBL8425890

N#Cc1cc[n+](CCCCCCCCCC[n+]2ccc(C#N)cc2)cc1.[Br-].[Br-]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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 4)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 14/20 0.47
CHKA known ✓ P35790 2/20 0.47
HDAC8 Q9BY41 1/20 0.48
BCHE P06276 14/20 0.47

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
Bromide SCHEMBL8428013 1.00 HDAC8 (0.48) HDAC8BCHEACHECHKA
Bromide SCHEMBL8425884 0.98 HDAC8 (0.50) HDAC8BCHEACHECHKA
SCHEMBL21350643 0.95 HDAC8 (0.52) HDAC8BCHEACHECHKA
Bromide SCHEMBL5489286 0.90 KMT2A (0.60) ACHE
Hydrochloric Acid SCHEMBL8775080 0.86 KMT2A (0.60) ACHE
Bromide SCHEMBL8663821 0.85 KMT2A (0.48) HDAC8ACHE
SCHEMBL8660074 0.83 KMT2A (0.50) HDAC8ACHE
Hydrochloric Acid SCHEMBL11600265 0.81 MEN1 (0.48) HDAC8ACHE
Bromide SCHEMBL10609243 0.80 HDAC8 (0.52) HDAC8BCHEACHE
SCHEMBL15164193 0.79 HDAC8 (0.56) HDAC8

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-0476338-B1 Polyviologen modified electrode and use thereof DAISO CO LTD (JP) 1999-11-03 EP disclosed
US-5232574-A Water and solvent insolubility DAISO CO. LTD. (JP) 1993-08-03 US disclosed
EP-0476338-A2 Polyviologen modified electrode and use thereof DAISO CO., LTD. (JP) 1992-03-25 EP disclosed