Bromide

Bromide

SCHEMBL4619451

CC(=O)N(/C=C/c1cc[n+](CCC[N+](C)(C)C)c2ccccc12)c1ccccc1.[Br-].[Br-]

nearest known ligand 0.40

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
POLB P06746 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTNNB1 P35222 1/20 0.38
LMNA P02545 5/20 0.37
RECQL P46063 4/20 0.37
MAPK1 P28482 3/20 0.37
THRB P10828 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
NSD2 O96028 1/20 0.37

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 SCHEMBL4619455 1.00 POLB (0.38) POLBKDM4EMEN1KMT2AALDH1A1
Bromide SCHEMBL4619930 0.87 LMNA (0.44) POLBKDM4EMEN1KMT2AALDH1A1
Bromide SCHEMBL4619927 0.87 LMNA (0.44) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL26663036 0.83 MAPT (0.53) POLBKDM4EMEN1KMT2AALDH1A1
Bromide SCHEMBL4620811 0.82 KDM4E (0.35) POLBKDM4EMEN1KMT2AALDH1A1
Bromide SCHEMBL4620814 0.82 KDM4E (0.35) POLBKDM4EMEN1KMT2AALDH1A1
Iodide SCHEMBL10479085 0.82 MAPT (0.55) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL14365143 0.79 MEN1 (0.49) POLBKDM4EMEN1KMT2AALDH1A1
Iodide SCHEMBL31156809 0.76 APP (0.57) POLBKDM4EMEN1KMT2AALDH1A1
Iodide SCHEMBL10745058 0.76 MAPT (0.55) POLBKDM4EMEN1KMT2AALDH1A1

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-20080124732-A1 METHOD FOR OPTICAL MEASUREMENT OF MULTI-STRANDED NUCLEIC ACID FUJIFILM CORPORATION 2008-05-29 US disclosed
EP-1889880-A2 Method for optical measurement of multi-stranded nucleic acid FUJIFILM Corporation (JP) 2008-02-20 EP disclosed
EP-1362894-B1 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJIFILM CORP (JP) 2007-12-19 EP disclosed
US-20050112770-A1 Method for optical measurement of multi-stranded nucleic acid FUJI PHOTO FILM CO., LTD. 2005-05-26 US disclosed
EP-1362894-A2 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 2003-11-19 EP disclosed