Bromide

Bromide

SCHEMBL231807

Br.Br.C[N+](C)(CCN(CCc1ccc(C(=O)c2ccccc2)cc1)CCN(CCc1ccc(C(=O)c2ccccc2)cc1)CC[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1)Cc1ccc(C(=O)c2ccccc2)cc1.[Br-].[Br-]

nearest known ligand 0.44

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 17)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.44
GLI1 P08151 2/20 0.38
GLI2 P10070 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DNM1 Q05193 1/20 0.37
BCHE P06276 1/20 0.37
SRD5A2 P31213 1/20 0.36
MLYCD O95822 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 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
Bromide SCHEMBL232864 0.99 ACHE (0.45) ACHEGLI1GLI2HPGDALDH1A1
SCHEMBL487057 0.97 ACHE (0.46) ACHEGLI1GLI2HPGDALDH1A1
SCHEMBL321585 0.96 ACHE (0.46) ACHEGLI1GLI2HPGDALDH1A1
Bromide SCHEMBL6055901 0.94 ACHE (0.43) ACHEGLI1GLI2HPGDALDH1A1
Bromide SCHEMBL231675 0.82 ALDH1A1 (0.48) ACHEHPGDALDH1A1NPC1RAB9A
SCHEMBL28202434 0.81 SRD5A2 (0.45) ACHEHPGDALDH1A1NPC1RAB9A
Bromide SCHEMBL4775467 0.81 ACHE (0.53) ACHEHPGDNPC1RAB9ABCHE
SCHEMBL485968 0.81 ALDH1A1 (0.50) ACHEHPGDALDH1A1NPC1RAB9A
Bromide SCHEMBL4003015 0.80 ACHE (0.45) ACHEHPGDALDH1A1NPC1RAB9A
Bromide SCHEMBL8719848 0.79 MEN1 (0.43) GLI1GLI2HPGDALDH1A1NPC1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004339-A1 REAGENT AND METHOD FOR PROVIDING COATINGS ON SURFACES SURMODICS, INC. (US) 2012-01-05 US claimed
US-8039524-B2 Reagent and method for providing coatings on surfaces SURMODICS, INC. (US) 2011-10-18 US claimed
US-7883749-B2 placing an object into a container, filling the container with a 1st solution of nonpolymeric grafting initiator, irradiating, removing the solution from the container, filling the container with a 2ns solution of polymerizable monomer or macromer, bubbling gas through the solution, irradiating; curable SURMODICS, INC. (US) 2011-02-08 US claimed
US-20100240789-A1 REAGENT AND METHOD FOR PROVIDING COATINGS ON SURFACES SURMODICS, INC. (US) 2010-09-23 US claimed
US-7736689-B2 Reagent and method for providing coatings on surfaces SURMODICS, INC. (US) 2010-06-15 US claimed
US-20090176030-A1 METHOD FOR COATING AN OBJECT WITH A GRAFT POLYMER LAYER SURMODICS, INC. 2009-07-09 US claimed
US-7348055-B2 Reagent and method for providing coatings on surfaces SURMODICS, INC. (US) 2008-03-25 US claimed
US-20070292596-A1 REAGENT AND METHOD FOR PROVIDING COATINGS ON SURFACES SURMODICS, INC. (US) 2007-12-20 US claimed
EP-1594623-B1 GRAFTING APPARTUS AND METHOD OF USING SURMODICS INC (US) 2007-04-11 EP claimed
EP-1465740-A4 REAGENT AND METHOD FOR PROVIDING COATINGS ON SURFACES SURMODICS INC (US) 2006-06-07 EP claimed
US-7041174-B2 Grafting apparatus and method of using SUNMODICS,INC. (US) 2006-05-09 US claimed
EP-1594623-A1 GRAFTING APPARTUS AND METHOD OF USING SurModics, Inc. (US) 2005-11-16 EP claimed
JP-2005514192-A 2005-05-19 JP claimed
EP-1465740-A1 REAGENT AND METHOD FOR PROVIDING COATINGS ON SURFACES SurModics, Inc. (US) 2004-10-13 EP claimed
WO-2004073885-A1 GRAFTING APPARTUS AND METHOD OF USING SURMODICS, INC. (US) 2004-09-02 WO claimed
US-20040161547-A1 Grafting apparatus and method of using SURMODICS, INC. 2004-08-19 US claimed
US-20030165613-A1 Reagent and method for providing coatings on surfaces Surmodics Coatings, LLC 2003-09-04 US claimed
WO-2003055611-A1 REAGENT AND METHOD FOR PROVIDING COATINGS ON SURFACES SURMODICS, INC. (US) 2003-07-10 WO claimed
US-8318263-B2 Method for coating an object with a graft polymer layer SURMODICS, INC. (US) 2012-11-27 US disclosed
US-6077698-A NONPOLYMERIC COMPOUND INCLUDING AT LEAST TWO ARYL KETONES AND ONE OR MORE SULFONATE, PHOSPHONATE, AND CARBOXYLATE GROUPS; FOR SURFACE TREATMENTS AND IMMOBILIZATION IN AQUEOUS SYSTEMS SURMODICS, INC. (US) 2000-06-20 US disclosed