Bromide

Bromide

SCHEMBL29102419

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

nearest known ligand 0.40

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
CHRM2 known ✓ P08172 2/20 0.36
CHRM4 known ✓ P08173 2/20 0.36
CHRM1 known ✓ P11229 2/20 0.36
CHRM5 known ✓ P08912 1/20 0.35
CHRM3 known ✓ P20309 1/20 0.35
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HRH1 P35367 1/20 0.39
TSHR P16473 7/20 0.36
TBXA2R P21731 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
CYP2C9 P11712 2/20 0.36
TP53 P04637 2/20 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
Hydrochloric Acid SCHEMBL29102422 0.96 LMNA (0.42) MEN1KMT2ACYP2C19RECQLCYP1A2
Iodide SCHEMBL29102413 0.96 MEN1 (0.40) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL561301 0.82 TSHR (0.45) SMN1; SMN2TSHRMAPK1TP53HIF1A
SCHEMBL19469394 0.81 LMNA (0.62) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL29405785 0.79 MEN1 (0.65) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL22028173 0.79 LMNA (0.60) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL288777 0.79 MEN1 (0.65) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL17076330 0.79 MEN1 (0.34) MEN1KMT2ACYP2C19RECQLCYP1A2
Bromide SCHEMBL28073958 0.78 TSHR (0.57) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL4632793 0.77 TSHR (0.41) MEN1KMT2ACYP2C19RECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024254965-A1 POLYELECTROLYTE GEL, PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2024-12-19 WO claimed
CN-117024774-A Polyelectrolyte gel, preparation method and application thereof 清华大学 2023-11-10 CN claimed
WO-2024254965-A1 POLYELECTROLYTE GEL, PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2024-12-19 WO disclosed
CN-117024774-A Polyelectrolyte gel, preparation method and application thereof 清华大学 2023-11-10 CN disclosed