Bromide

Bromide

SCHEMBL5598421

CCCCCCCCCCCC[N+](C)(C)[C@H](C)[C@H](O)c1ccccc1.[Br-]

nearest known ligand 0.51

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
CHRM2 known ✓ P08172 2/20 0.41
CHRM1 known ✓ P11229 1/20 0.40
CHRM3 known ✓ P20309 1/20 0.40
ASAH1 Q13510 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ACER2 Q5QJU3 1/20 0.51
DNM1 Q05193 2/20 0.46
NAAA Q02083 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
AOC3 Q16853 1/20 0.43
HTT P42858 3/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.41
ADRA2C P18825 3/20 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
Bromide SCHEMBL29992023 1.00 ASAH1 (0.51) ASAH1ALDH1A1ACER2DNM1NAAA
Bromide SCHEMBL3571270 1.00 ASAH1 (0.51) ASAH1ALDH1A1ACER2DNM1NAAA
SCHEMBL4656281 0.98 ASAH1 (0.52) ASAH1ALDH1A1ACER2DNM1NAAA
SCHEMBL16784107 0.98 ASAH1 (0.52) ASAH1ALDH1A1ACER2DNM1NAAA
Hydrochloric Acid SCHEMBL11172132 0.97 ASAH1 (0.51) ASAH1ALDH1A1ACER2DNM1NAAA
Bromide SCHEMBL25252124 0.80 ADRA2C (0.48) ASAH1ALDH1A1ACER2MEN1KMT2A
Bromide SCHEMBL26653709 0.80 ADRA2C (0.48) ASAH1ALDH1A1ACER2MEN1KMT2A
Hydrochloric Acid SCHEMBL27777948 0.80 SMN1; SMN2 (0.50) ASAH1ALDH1A1ACER2DNM1NAAA
Bromide SCHEMBL10424888 0.79 DNM1 (0.44) ASAH1ALDH1A1ACER2DNM1NAAA
SCHEMBL9396434 0.79 DNM1 (0.50) ASAH1ALDH1A1ACER2DNM1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123656-A1 Polyolefin graft copolymer KANEKA CORPORATION (JP) 2007-05-31 US disclosed
EP-1671985-A1 POLYOLEFIN GRAFT COPOLYMER KANEKA CORPORATION (JP) 2006-06-21 EP disclosed