Bromide

Bromide

SCHEMBL30927077

C=CC(=O)OCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Br-]

nearest known ligand 0.54

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 0.36
▸ DNM1 Q05193 2/20 0.54
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HTT P42858 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ THRB P10828 1/20 0.46
▸ HPGD P15428 1/20 0.42
▸ LMNA P02545 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ AKR1B10 O60218 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ BCHE P06276 1/20 0.36

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 SCHEMBL28524634 0.99 DNM1 (0.51) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL28521262 0.96 MEN1 (0.51) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Iodide SCHEMBL28526443 0.96 DNM1 (0.49) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Fluoride Ion SCHEMBL28535207 0.96 DNM1 (0.49) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL28532164 0.95 DNM1 (0.49) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL14409026 0.93 THRB (0.49) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Sulfuric Acid SCHEMBL28988171 0.93 DNM1 (0.46) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Fluoride Ion SCHEMBL28525852 0.92 THRB (0.48) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL3910414 0.92 TP53 (0.49) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Iodide SCHEMBL28537835 0.92 THRB (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118104655-A Disinfectant based on virus blocking agent and application thereof 康码(上海)生物科技有限公司 2024-05-31 — — CN claimed
CN-118104655-A Disinfectant based on virus blocking agent and application thereof 康码(上海)生物科技有限公司 2024-05-31 — — CN disclosed
Send feedback