Bromide

Bromide

SCHEMBL28991374

Br.CN=c1ccc2c(-c3ccc(OC)c(N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c3)c3ccc(N(C)C)cc3oc-2c1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ P2RY6 Q15077 1/20 0.32

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 SCHEMBL30378600 1.00 TDP1 (0.37) TDP1MEN1THRBRECQLBLM
Bromide SCHEMBL28991378 0.94 TDP1 (0.37) TDP1MEN1THRBRECQLBLM
Bromide SCHEMBL30379370 0.94 TDP1 (0.37) TDP1MEN1THRBRECQLBLM
Acetic Acid SCHEMBL30379172 0.90 MEN1 (0.40) TDP1MEN1THRBRECQLBLM
Bromide SCHEMBL19878336 0.87 MEN1 (0.51) TDP1MEN1THRBRECQLBLM
Acetic Acid SCHEMBL28991738 0.84 MEN1 (0.40) TDP1MEN1THRBRECQLBLM
Bromide SCHEMBL19878453 0.81 TDP1 (0.51) TDP1MEN1THRBRECQLBLM
SCHEMBL19878292 0.81 MEN1 (0.46) TDP1MEN1THRBRECQLBLM
Acetic Acid SCHEMBL19878290 0.78 MEN1 (0.52) TDP1MEN1THRBRECQLBLM
Acetic Acid SCHEMBL30378926 0.78 MEN1 (0.52) TDP1MEN1THRBRECQLBLM

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
CN-109690317-B Compositions and methods for measuring ion channel activity in cells 生命科技股份有限公司 2023-05-02 — — CN disclosed
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