Bromide

Bromide

SCHEMBL5085145

CCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCC)(Cc1ccccc1)Cc1ccccc1.[Br-]

nearest known ligand 0.71

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 18)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.48
DNM1 Q05193 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
TP53 P04637 2/20 0.66
MAPK1 P28482 2/20 0.66
HTT P42858 3/20 0.64
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
HIF1A Q16665 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SLC22A1 O15245 1/20 0.50
BCHE P06276 1/20 0.48
LMNA P02545 1/20 0.46

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 SCHEMBL5088127 1.00 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5092377 1.00 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5087291 1.00 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5091447 1.00 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5084854 1.00 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5091865 1.00 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL16594358 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL423844 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL16594023 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL28349507 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214386-A1 Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-09-04 US disclosed