Bromide

Bromide

SCHEMBL11580882

CCCc1cc[n+](CCc2ccccc2)cc1.[Br-]

nearest known ligand 0.64

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
▸ CHKA known ✓ P35790 2/20 0.42
▸ CHRM2 known ✓ P08172 1/20 0.39
▸ CHRM4 known ✓ P08173 1/20 0.39
▸ CHRM5 known ✓ P08912 1/20 0.39
▸ CHRM1 known ✓ P11229 1/20 0.39
▸ CHRM3 known ✓ P20309 1/20 0.39
▸ ACHE known ✓ P22303 1/20 0.39
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.39
▸ RAD52 P43351 2/20 0.39
▸ ALOX12 P18054 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ LCK P06239 1/20 0.39

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 SCHEMBL8857714 0.90 TP53 (0.58) TP53LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL5299930 0.86 CHRNA7 (0.46) TP53CHRM2ADRA2AADORA3CHRM1
SCHEMBL5300960 0.84 CHKA (0.56) LMNAHTTSMN1; SMN2ALDH1A1CHKA
Bromide SCHEMBL5907737 0.83 CYP2D6 (0.49) CYP2D6ACHE
Hydrochloric Acid SCHEMBL10669507 0.82 ALDH1A1 (0.56) LMNAHTTSMN1; SMN2ALDH1A1CHKA
Bromide SCHEMBL8857808 0.82 CHKA (0.57) TP53LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL5305122 0.81 LPL (0.41) TP53LMNAHTTSMN1; SMN2CHKA
SCHEMBL10445050 0.81 CYP2D6 (0.50) SMN1; SMN2ALDH1A1CYP2D6ALOX12ACHE
Bromide SCHEMBL9265154 0.80 TP53 (0.52) TP53SMN1; SMN2ALDH1A1ALOX12CHRM2
Benzene SCHEMBL3223041 0.80 TP53 (0.58) TP53SMN1; SMN2ALDH1A1ALOX12CHRM2

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-4123330-A Color diffusion transfer process using benzyl alcohol and derivatives thereof KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1978-10-31 — — US disclosed
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