Bromide

Bromide

SCHEMBL7770811

C=CC(=O)OCC[N+](C)(C)C(C(=O)c1ccccc1)c1ccccc1.[Br-]

nearest known ligand 0.48

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
▸ CHRM1 known ✓ P11229 6/20 0.48
▸ CHRM3 known ✓ P20309 6/20 0.48
▸ CHRM4 known ✓ P08173 5/20 0.48
▸ CHRM2 known ✓ P08172 5/20 0.48
▸ CHRM5 known ✓ P08912 1/20 0.39
▸ THRB P10828 1/20 0.44
▸ CYP2D6 P10635 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ MDM2 Q00987 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7777033 0.99 CHRM1 (0.47) CHRM1CHRM3CHRM4CHRM2THRB
SCHEMBL28033038 0.81 THRB (0.49) CHRM1CHRM3CHRM4CHRM2THRB
Hydrochloric Acid SCHEMBL28000634 0.80 THRB (0.48) CHRM1CHRM3CHRM4CHRM2THRB
Benzophenone SCHEMBL1371756 0.77 THRB (0.54) CHRM1CHRM3CHRM4CHRM2THRB
Benzophenone SCHEMBL3410520 0.74 THRB (0.54) CHRM1CHRM3CHRM4CHRM2THRB
SCHEMBL28290653 0.73 THRB (0.47) CHRM1CHRM3CHRM4CHRM2THRB
Bromide SCHEMBL29236904 0.73 THRB (0.53) CHRM1CHRM3CHRM4CHRM2THRB
Hydrochloric Acid SCHEMBL169126 0.73 THRB (0.49) CHRM1CHRM3CHRM4CHRM2THRB
Bromide SCHEMBL645587 0.73 CES2 (0.43) CHRM1CHRM3CHRM4CHRM2LMNA
Benzoin SCHEMBL11764629 0.72 LMNA (0.54) CHRM1CHRM3CHRM4CHRM2THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877298-B1 Coated xerographic photographic paper XEROX CORP (US) 2001-08-29 — — EP claimed
US-5908723-A Recording sheets XEROX CORPORATION (US) 1999-06-01 — — US claimed
US-5908723-A Recording sheets XEROX CORPORATION (US) 1999-06-01 — — US disclosed
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