Bromide

Bromide

SCHEMBL11167733

CCCC[N+]1(C)CCC(Oc2ccc3c(c2)oc2c(Cl)c(C)c(Cl)cc23)CC1.[Br-]

nearest known ligand 0.43

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
▸ MAOA P21397 8/20 0.43
▸ MAOB P27338 8/20 0.43
▸ ALPL P05186 3/20 0.35
▸ ALPI P09923 3/20 0.35
▸ CCR4 P51679 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ AHR P35869 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.31
▸ USP2 O75604 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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 SCHEMBL11170592 0.83 MAOB (0.43) MAOAMAOBALPLALPICCR4
Bromide SCHEMBL11173907 0.79 MAOB (0.43) MAOAMAOBCCR4NPC1RAB9A
Bromide SCHEMBL11167726 0.78 KDM4E (0.39) MAOAMAOBKDM4EALDH1A1GAA
Bromide SCHEMBL11173956 0.66 MAOB (0.39) MAOAMAOBNPC1RAB9AAHR
Bromide SCHEMBL11238851 0.64 GNAI3 (0.35) GAAKMT2A
Bromide SCHEMBL11176112 0.64 MAOB (0.35) MAOAMAOBALPLALPINPC1
SCHEMBL10648746 0.62 HSD17B3 (0.55) MAOAMAOBKDM4EALDH1A1GAA
Bromide SCHEMBL11181035 0.61 MAOB (0.35) MAOAMAOBAHRKMT2A
Bromide SCHEMBL11089523 0.60 MAOB (0.46) MAOB
SCHEMBL21655151 0.59 MAOB (0.41) MAOAMAOBCCR4NPC1RAB9A

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-4376776-A Dibenzofuran derivatives and their use for controlling fungi BASF AKTIENGESELLSCHAFT (DE) 1983-03-15 — — US disclosed
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