Bromide

Bromide

SCHEMBL8662470

CCCCCCCCCCCCCCCCCc1cc[n+](CC)cc1.[Br-]

nearest known ligand 0.52

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
▸ CHRM2 known ✓ P08172 2/20 0.52
▸ CHRM5 known ✓ P08912 2/20 0.52
▸ CHRM1 known ✓ P11229 2/20 0.52
▸ CHRM3 known ✓ P20309 2/20 0.52
▸ ACHE known ✓ P22303 2/20 0.52
▸ CHRM4 known ✓ P08173 1/20 0.44
▸ ADRA2A P08913 3/20 0.52
▸ ADORA3 P0DMS8 3/20 0.52
▸ TACR2 P21452 3/20 0.52
▸ SLC6A2 P23975 3/20 0.52
▸ SLC6A4 P31645 3/20 0.52
▸ SLC6A3 Q01959 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ESR1 P03372 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HTR2C P28335 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ EGFR P00533 2/20 0.52
▸ LCK P06239 2/20 0.52

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
SCHEMBL5818124 0.98 ESR1 (0.53) ADRA2AADORA3TACR2SLC6A2SLC6A4
SCHEMBL5300770 0.98 ESR1 (0.53) ADRA2AADORA3TACR2SLC6A2SLC6A4
SCHEMBL5304751 0.98 ESR1 (0.53) ADRA2AADORA3TACR2SLC6A2SLC6A4
SCHEMBL5286019 0.98 ESR1 (0.53) ADRA2AADORA3TACR2SLC6A2SLC6A4
SCHEMBL5299547 0.98 ESR1 (0.53) ADRA2AADORA3TACR2SLC6A2SLC6A4
SCHEMBL5301887 0.98 ESR1 (0.53) ADRA2AADORA3TACR2SLC6A2SLC6A4
SCHEMBL5815750 0.98 ESR1 (0.53) ADRA2AADORA3TACR2SLC6A2SLC6A4
SCHEMBL5305135 0.98 ESR1 (0.53) ADRA2AADORA3TACR2SLC6A2SLC6A4
SCHEMBL5301499 0.98 ESR1 (0.53) ADRA2AADORA3TACR2SLC6A2SLC6A4
SCHEMBL5299584 0.98 ESR1 (0.53) ADRA2AADORA3TACR2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783710-A INK JET PRINTING; SPRAYING HOT MELT DROPLETS ON PLASTIC OR FIBER HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-21 — — US disclosed
EP-0593923-B1 Water-insoluble sulfur dyes, their preparation and their use CASSELLA FARBWERKE MAINKUR AG (DE) 1995-08-09 — — EP disclosed
US-5374302-A Reacting a sulfur dyes with a a-halocarboxylic acid; recording ink CASSELLA AG (DE) 1994-12-20 — — US disclosed
EP-0593923-A1 Water-insoluble sulfur dyes, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-27 — — EP disclosed
EP-0380984-A1 Liquid algicidal compositions RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1990-08-08 — — EP disclosed
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