Bromide

Bromide

SCHEMBL1227449

CC([n+]1ccc(-c2cc[n+](C(C)P(=O)(O)O)cc2)cc1)P(=O)(O)O.[Br-].[Br-]

nearest known ligand 0.36

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
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ACP3 P15309 5/20 0.34
▸ PTPN5 P54829 3/20 0.33
▸ MMP8 P22894 4/20 0.32
▸ MMP14 P50281 4/20 0.32
▸ MMP1 P03956 3/20 0.32
▸ MMP2 P08253 3/20 0.32
▸ MMP3 P08254 3/20 0.32
▸ MMP7 P09237 3/20 0.32
▸ MMP9 P14780 3/20 0.32
▸ MMP13 P45452 3/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ PGK1 P00558 2/20 0.31
▸ PGK2 P07205 2/20 0.31
▸ GGPS1 O95749 1/20 0.31
▸ SRC P12931 1/20 0.30

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
SCHEMBL1226946 0.98 ACP3 (0.35) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1227055 0.96 ACP3 (0.34) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
Bromide SCHEMBL2462792 0.93 SLC6A4 (0.41) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
Bromide SCHEMBL6873657 0.88 GGPS1 (0.35) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
Bromide SCHEMBL6874660 0.88 KDM4E (0.31) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6442055 0.86 PABPC1 (0.43) LMNAGGPS1
SCHEMBL4330742 0.82 MMP8 (0.37) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
Bromide SCHEMBL6872242 0.82 ALDH1A1 (0.50) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2263262 0.81 MMP8 (0.36) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2266110 0.79 ACP3 (0.35) LMNAHTTSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004143-B1 CHARGE GENERATORS IN HETEROLAMELLAR MULTILAYER THIN FILMS UNIV SOUTHERN CALIFORNIA (US) 2012-09-05 — — EP disclosed
EP-2287937-A2 Charge generators in heterolamellar multilayer thin films The University of Southern California (US) 2011-02-23 — — EP disclosed
EP-0871985-B1 HETEROLAMELLAR PHOTOVOLTAIC FILMS UNIV PRINCETON (US) 2009-08-19 — — EP disclosed
EP-1386884-B1 Process for production of hydrogen peroxide by direct synthesis from hydrogen and oxygen UNIV PRINCETON (US) 2007-03-07 — — EP disclosed
EP-1004143-A4 CHARGE GENERATORS IN HETEROLAMELLAR MULTILAYER THIN FILMS UNIV SOUTHERN CALIFORNIA (US) 2006-04-12 — — EP disclosed
EP-1394185-A1 Derivative of polyvinylpyridine THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2004-03-03 — — EP disclosed
EP-1386884-A1 Electron acceptor compositions on polymer templates and catalytic production of hydrogen peroxide THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2004-02-04 — — EP disclosed
EP-0846082-B1 ELECTRON ACCEPTOR COMPOSITIONS ON POLYMER TEMPLATES AND CATALYTIC PRODUCTION OF HYDROGEN PEROXIDE UNIV PRINCETON (US) 2003-10-08 — — EP disclosed
EP-0713492-B1 ELECTRON ACCEPTOR COMPOSITIONS UNIV PRINCETON (US) 2001-07-18 — — EP disclosed
US-6187871-B1 DECOMPOSITION OF WATER; CATALYST THE TRUSTEES OF PRINCETON UNIVERSITY 2001-02-13 — — US disclosed
EP-0871985-A1 HETEROLAMELLAR PHOTOVOLTAIC FILMS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1998-10-21 — — EP disclosed
EP-0846082-A4 ELECTRON ACCEPTOR COMPOSITIONS ON POLYMER TEMPLATES AND CATALYTIC PRODUCTION OF HYDROGEN PEROXIDE UNIV PRINCETON (US) 1998-09-02 — — EP disclosed
EP-0846082-A2 ELECTRON ACCEPTOR COMPOSITIONS ON POLYMER TEMPLATES AND CATALYTIC PRODUCTION OF HYDROGEN PEROXIDE THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1998-06-10 — — EP disclosed
US-5695890-A PHOTOELECTRODE COMPRISING CHARGE TRANSFER COMPLEX; REDOX CATALYSTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-12-09 — — US disclosed
WO-1997024775-A1 HETEROLAMELLAR PHOTOVOLTAIC FILMS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-07-10 — — WO disclosed
WO-1997006661-A2 ELECTRON ACCEPTOR COMPOSITIONS ON POLYMER TEMPLATES AND CATALYTIC PRODUCTION OF HYDROGEN PEROXIDE THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-02-27 — — WO disclosed
EP-0713492-A1 ELECTRON ACCEPTOR COMPOSITIONS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1996-05-29 — — EP disclosed
US-5500297-A PHOTOINDUCED CHARGE SEPARATION, ORGANIC PILLARS, REPEATING CATIONIC CENTERS AND METAL PHOSPHONATES WITH ENTRAPPED COLLOIDAL PARTICLES OF PALLADIUM OR PLATINUM THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1996-03-19 — — US disclosed
US-5480629-A TREATING AN AQUEOUS SUSPENSION OF CATALYST WITH OXYGEN AND HYDROGEN SOURCES, SEPARATING THE CATALYST AND ISOLATING HYDROGEN PEROXIDE THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1996-01-02 — — US disclosed
WO-1995004743-A1 ELECTRON ACCEPTOR COMPOSITIONS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-02-16 — — WO disclosed
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