Bromide

Bromide

SCHEMBL11575686

CCc1ccc([N+](c2ccc(CC)cc2)(c2ccc(CC)cc2)c2ccc(CC)cc2)cc1.[Br-]

nearest known ligand 0.46

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
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP2A6 P11509 2/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
PLK1 P53350 1/20 0.41
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PLAU P00749 1/20 0.38
LMNA P02545 1/20 0.38
TRPA1 O75762 1/20 0.37
MGLL Q99685 2/20 0.37
IDO1 P14902 2/20 0.37
CYP1A2 P05177 1/20 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
Hydrogen Sulfide SCHEMBL27925242 0.82 TP53 (0.62) ALDH1A1TP53SMN1; SMN2TAAR1CYP2A6
Hydrogen Sulfide SCHEMBL29290777 0.82 TP53 (0.62) ALDH1A1TP53SMN1; SMN2TAAR1CYP2A6
SCHEMBL36295 0.78 TP53 (0.67) ALDH1A1TP53SMN1; SMN2TAAR1CYP2A6
SCHEMBL14025181 0.78 TP53 (0.46) ALDH1A1TP53SMN1; SMN2TAAR1CYP2A6
SCHEMBL10657323 0.76 TP53 (0.43) ALDH1A1TP53SMN1; SMN2TAAR1CYP2A6
SCHEMBL27756675 0.75 TP53 (0.62) ALDH1A1TP53SMN1; SMN2TAAR1CYP2A6
Ammonia Solution, Strong SCHEMBL27293386 0.75 TP53 (0.62) ALDH1A1TP53SMN1; SMN2TAAR1CYP2A6
SCHEMBL7542835 0.75 TP53 (0.62) ALDH1A1TP53SMN1; SMN2TAAR1CYP2A6
SCHEMBL31498555 0.75 TP53 (0.62) ALDH1A1TP53SMN1; SMN2TAAR1CYP2A6
SCHEMBL28166306 0.75 TP53 (0.62) ALDH1A1TP53SMN1; SMN2TAAR1CYP2A6

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-4129699-A QUATERNARY AMMONIUM SALT CATALYST THE FIRESTONE TIRE & RUBBER COMPANY (US) 1978-12-12 US disclosed