Bromide

Bromide

SCHEMBL9780261

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)CCCCCCCC.[Br-]

nearest known ligand 0.65

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
▸ DGKA P23743 1/20 0.65
▸ DNM1 Q05193 6/20 0.54
▸ MAPT P10636 2/20 0.51
▸ PAM P19021 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ADRA2A P08913 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ BLM P54132 1/20 0.47

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 SCHEMBL10492800 1.00 DGKA (0.65) DGKADNM1MAPTPAMHTT
Bromide SCHEMBL11579096 1.00 DGKA (0.65) DGKADNM1MAPTPAMHTT
Hydrochloric Acid SCHEMBL3462945 0.97 DGKA (0.65) DGKADNM1MAPTPAMHTT
Hydrochloric Acid SCHEMBL9780397 0.97 DGKA (0.65) DGKADNM1MAPTPAMHTT
Iodide SCHEMBL9780493 0.97 DGKA (0.65) DGKADNM1MAPTPAMHTT
SCHEMBL377473 0.95 DGKA (0.71) DGKADNM1MAPTPAMALDH1A1
SCHEMBL1056065 0.95 DGKA (0.71) DGKADNM1MAPTPAMALDH1A1
SCHEMBL1052058 0.95 DGKA (0.71) DGKADNM1MAPTPAMALDH1A1
SCHEMBL7114491 0.95 DGKA (0.71) DGKADNM1MAPTPAMALDH1A1
SCHEMBL7113105 0.95 DGKA (0.71) DGKADNM1MAPTPAMALDH1A1

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-5047577-A Activator For Peroxygen Laundry Bleach ETHYL CORPORATION (US) 1991-09-10 — — US disclosed
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