Bromide

Bromide

SCHEMBL5084845

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

nearest known ligand 0.68

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.46
CHRM2 known ✓ P08172 1/20 0.45
CHRM1 known ✓ P11229 1/20 0.45
CHRM3 known ✓ P20309 1/20 0.45
DNM1 Q05193 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TP53 P04637 2/20 0.62
MAPK1 P28482 2/20 0.62
HTT P42858 3/20 0.61
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
HIF1A Q16665 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC22A1 O15245 2/20 0.48
SLC22A2 O15244 1/20 0.48

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 SCHEMBL5092699 0.98 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5091287 0.98 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5091863 0.98 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5086878 0.98 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5088483 0.98 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5086644 0.98 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5087533 0.98 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL5088098 0.98 DNM1 (0.71) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5285340 0.98 DNM1 (0.67) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5289745 0.96 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