Bromide

Bromide

SCHEMBL10531095

Cc1ccc(C(=O)C[n+]2cc[nH]c2)c(C)c1.[Br-]

nearest known ligand 0.51

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 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ NPC1 O15118 6/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL10526761 0.99 HSD11B1 (0.42) HSD11B1ALDH1A1MAPTNPC1RAB9A
Bromide SCHEMBL10526748 0.82 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL10529155 0.78 KMT2A (0.49) ALDH1A1MAPTRAB9AKMT2AKDM4E
Bromide SCHEMBL10526865 0.77 POLB (0.48) HSD11B1ALDH1A1MAPTNPC1RAB9A
SCHEMBL10526750 0.75 POLB (0.46) HSD11B1ALDH1A1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL10528498 0.74 POLB (0.45) HSD11B1ALDH1A1MAPTNPC1RAB9A
Bromide SCHEMBL10529450 0.74 MEN1 (0.47) HSD11B1ALDH1A1MAPTSMN1; SMN2MEN1
Bromide SCHEMBL10531147 0.72 ALDH1A1 (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10528540 0.72 MEN1 (0.48) HSD11B1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2648128 0.68 HSD11B1 (0.54) HSD11B1ALDH1A1NPC1RAB9ASMN1; 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
EP-0182533-B1 3-(2-ARYL-2-OXOETHYL)-IMIDAZOLIUM SALTS AS HYPOGLYCEMIC AGENTS ELI LILLY AND COMPANY (US) 1989-09-20 — — EP claimed
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