Bromide

Bromide

SCHEMBL31472946

CCCCCCCCCCCCCCCCCC[N+](C)(CCC[Si](OCC)(OCC)OCC)Cc1ccccc1.[Br-]

nearest known ligand 0.55

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 0.42
CHRM2 known ✓ P08172 1/20 0.39
CHRM1 known ✓ P11229 1/20 0.39
CHRM3 known ✓ P20309 1/20 0.39
DNM1 Q05193 2/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 3/20 0.50
BCHE P06276 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
ESR1 P03372 1/20 0.39
NR3C1 P04150 1/20 0.39

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
Hydrochloric Acid SCHEMBL9470925 0.97 MEN1 (0.55) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL31472969 0.88 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL9469769 0.85 MEN1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL28602625 0.84 DNM1 (0.74) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL11404008 0.84 DNM1 (0.74) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL28351453 0.84 DNM1 (0.74) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL11276216 0.84 DNM1 (0.74) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL718747 0.84 DNM1 (0.74) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL11306487 0.84 DNM1 (0.74) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL9469590 0.83 MEN1 (0.50) DNM1MEN1KMT2AMAPK1SMN1; SMN2

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
CN-114392200-B Preparation method of hair dye and hair dye 柯煌阳 2025-02-07 CN disclosed