Bromide

Bromide

SCHEMBL10815643

CCCCCCCCCCCCCCCCCCOC(=O)N(CC(COCCCC[n+]1ccsc1)OC(=O)OC)C(C)C.[Br-]

nearest known ligand 0.44

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 8)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
PTAFR P25105 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41

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 SCHEMBL9784626 0.91 GMNN (0.40) GMNNUSP2LMNAPTAFRMTOR
Bromide SCHEMBL9784634 0.79 GMNN (0.44) GMNNUSP2LMNAPTAFRMTOR
Bromide SCHEMBL9575817 0.79 GMNN (0.49) GMNNUSP2LMNAPTAFRMTOR
Bromide SCHEMBL9575828 0.79 GMNN (0.49) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9120153 0.78 GMNN (0.62) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9120138 0.78 GMNN (0.62) GMNNUSP2LMNAPTAFRMTOR
Iodide SCHEMBL9117189 0.77 GMNN (0.61) GMNNUSP2LMNAPTAFRMTOR
Iodide SCHEMBL9117195 0.77 GMNN (0.61) GMNNUSP2LMNAPTAFRMTOR
Hydrochloric Acid SCHEMBL11064109 0.75 GMNN (0.58) GMNNUSP2LMNAPTAFRMTOR
Bromide SCHEMBL8701422 0.73 GMNN (0.71) GMNNUSP2LMNAPTAFRMTOR

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
EP-0208932-A2 Glycerin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-01-21 EP disclosed