Bromide

Bromide

SCHEMBL29484430

Br.CC(C)(C)N(CC(=O)c1cc(O)cc(O)c1)Cc1ccccc1

nearest known ligand 0.42

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 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 1/20 0.37
▸ LMNA P02545 4/20 0.42
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ RIPK1 Q13546 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL11766997 0.82 KMT2A (0.56) KMT2AMEN1L3MBTL1EGFR
SCHEMBL9863679 0.80 LMNA (0.45) LMNAKMT2AMEN1L3MBTL1HTT
SCHEMBL11276722 0.79 ELANE (0.39) LMNAKMT2AMEN1L3MBTL1HTT
SCHEMBL14445127 0.78 PKM (0.47) LMNAKMT2AMEN1L3MBTL1HTT
SCHEMBL32668832 0.78 PKM (0.47) LMNAKMT2AMEN1L3MBTL1HTT
Sulfuric Acid SCHEMBL29516595 0.78 KMT2A (0.51) KMT2AMEN1L3MBTL1EGFRALDH1A1
Hydrochloric Acid SCHEMBL31199080 0.77 PKM (0.46) LMNAKMT2AMEN1L3MBTL1HTT
Bromide SCHEMBL11705735 0.77 KMT2A (0.50) KMT2AMEN1HTTEGFRALDH1A1
SCHEMBL11099488 0.77 LMNA (0.40) LMNAKMT2AMEN1L3MBTL1HTT
SCHEMBL13151737 0.77 MEN1 (0.50) LMNAKMT2AMEN1L3MBTL1HTT

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-110057932-B Method for analyzing terbutaline sulfate related substances by high performance liquid chromatography 上海旭东海普药业有限公司 2022-03-15 — — CN disclosed
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