Bromide

Bromide

SCHEMBL231806

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

nearest known ligand 0.46

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 18)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.40
DNM1 Q05193 2/20 0.43
ALDH1A1 P00352 5/20 0.42
SRD5A2 P31213 3/20 0.42
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 2/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
ELANE P08246 1/20 0.39

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 SCHEMBL232863 1.00 DNM1 (0.43) DNM1ALDH1A1SRD5A2HTTSMN1; SMN2
SCHEMBL321584 0.98 ALDH1A1 (0.44) DNM1ALDH1A1SRD5A2HTTSMN1; SMN2
SCHEMBL487054 0.98 ALDH1A1 (0.44) DNM1ALDH1A1SRD5A2HTTSMN1; SMN2
Bromide SCHEMBL1205091 0.94 DNM1 (0.46) DNM1ALDH1A1SRD5A2HTTSMN1; SMN2
Bromide SCHEMBL6055899 0.94 DNM1 (0.41) DNM1ALDH1A1SRD5A2HTTSMN1; SMN2
Bromide SCHEMBL231675 0.94 ALDH1A1 (0.48) DNM1ALDH1A1SRD5A2HTTSMN1; SMN2
SCHEMBL485968 0.92 ALDH1A1 (0.50) DNM1ALDH1A1SRD5A2HTTSMN1; SMN2
Bromide SCHEMBL29669478 0.86 DNM1 (0.51) DNM1ALDH1A1SRD5A2HTTSMN1; SMN2
Bromide SCHEMBL231434 0.86 DNM1 (0.59) DNM1ALDH1A1SRD5A2HTTSMN1; SMN2
SCHEMBL16731588 0.86 DNM1 (0.51) DNM1ALDH1A1SRD5A2HTTSMN1; SMN2

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