Bromide

Bromide

SCHEMBL1461564

C=CC(=O)CCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Br-]

nearest known ligand 0.52

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
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SLC22A1 O15245 2/20 0.48
FAAH O00519 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
DNM1 Q05193 4/20 0.47
SLC22A2 O15244 1/20 0.44
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43

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
SCHEMBL1462759 0.98 SLC22A1 (0.50) ALDH1A1TP53CYP3A4ALOX15TSHR
Iodide SCHEMBL1461547 0.96 SLC22A1 (0.48) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL1462733 0.90 FAAH (0.42) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL8758532 0.88 FAAH (0.57) ALDH1A1ALOX15TSHRHSD17B10FAAH
SCHEMBL812162 0.88 FAAH (0.57) ALDH1A1ALOX15TSHRHSD17B10FAAH
Hydrogen Sulfide SCHEMBL23406532 0.88 TRPA1 (0.52) ALDH1A1ALOX15TSHRHSD17B10FAAH
SCHEMBL12198766 0.88 FAAH (0.57) ALDH1A1ALOX15TSHRHSD17B10FAAH
SCHEMBL21423341 0.88 FAAH (0.57) ALDH1A1ALOX15TSHRHSD17B10FAAH
SCHEMBL872361 0.88 FAAH (0.57) ALDH1A1ALOX15TSHRHSD17B10FAAH
Hydrogen Sulfide SCHEMBL23406476 0.88 TRPA1 (0.52) ALDH1A1ALOX15TSHRHSD17B10FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011034413-A1 A NITRATE SENSOR MIMOS BERHAD (MY) 2011-03-24 WO claimed
WO-2011034413-A1 A NITRATE SENSOR MIMOS BERHAD (MY) 2011-03-24 WO disclosed
WO-2011034413-A1 A NITRATE SENSOR MIMOS BERHAD (MY) 2011-03-24 WO disclosed