Bromide

Bromide

SCHEMBL5086899

CCCC[P+](C)(C)Cc1ccccc1.[Br-]

nearest known ligand 0.48

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
CSNK1E P49674 1/20 0.47
DNM1 Q05193 2/20 0.44
BDKRB2 P30411 2/20 0.44
CNR2 P34972 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSH P09668 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41

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
Hydrochloric Acid SCHEMBL5085263 0.96 BDKRB2 (0.48) CSNK1EDNM1BDKRB2CNR2SIGMAR1
Iodide SCHEMBL5085423 0.96 CSNK1E (0.47) CSNK1EDNM1BDKRB2CNR2SIGMAR1
Bromide SCHEMBL5091956 0.94 BDKRB2 (0.50) CSNK1EDNM1BDKRB2CNR2SIGMAR1
Bromide SCHEMBL5084788 0.94 BDKRB2 (0.50) CSNK1EDNM1BDKRB2CNR2SIGMAR1
Bromide SCHEMBL723732 0.94 BDKRB2 (0.50) CSNK1EDNM1BDKRB2CNR2SIGMAR1
Bromide SCHEMBL5086842 0.94 BDKRB2 (0.50) CSNK1EDNM1BDKRB2CNR2SIGMAR1
Bromide SCHEMBL717694 0.94 BDKRB2 (0.50) CSNK1EDNM1BDKRB2CNR2SIGMAR1
Bromide SCHEMBL5086824 0.94 BDKRB2 (0.50) CSNK1EDNM1BDKRB2CNR2SIGMAR1
Bromide SCHEMBL5088634 0.94 BDKRB2 (0.50) CSNK1EDNM1BDKRB2CNR2SIGMAR1
Bromide SCHEMBL5088275 0.94 BDKRB2 (0.50) CSNK1EDNM1BDKRB2CNR2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214386-A1 Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-09-04 US disclosed