Bromide

Bromide

SCHEMBL3403147

CCCCCCC[n+]1ccn(-c2ccc([N+](=O)[O-])cc2)c1.[Br-]

nearest known ligand 0.52

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 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PABPC1 P11940 1/20 0.46
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.41

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 SCHEMBL3409462 1.00 MEN1 (0.52) MEN1KMT2APABPC1KCNH2MAPT
Bromide SCHEMBL1886752 0.90 MEN1 (0.56) MEN1KMT2APABPC1MAPT
Bromide SCHEMBL15992884 0.81
Bromide SCHEMBL1877140 0.81
Bromide SCHEMBL1884724 0.81 HTT (0.56) MEN1KMT2A
Bromide SCHEMBL3404870 0.80 APAF1 (0.47) MAPT
Bromide SCHEMBL3406159 0.80
Bromide SCHEMBL3402912 0.80 APAF1 (0.47) MAPT
Bromide SCHEMBL18203186 0.80 APAF1 (0.47) MAPT
Bromide SCHEMBL18203176 0.80 APAF1 (0.47) MAPT

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-2254871-B1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS UNIV DRESDEN TECH (DE) 2016-11-09 EP disclosed
EP-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 EP disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 WO disclosed