Bromide

Bromide

SCHEMBL238105

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 12/20 1.00
HSP90AA1 P07900 2/20 1.00
RAD52 P43351 2/20 1.00
HTT P42858 2/20 0.94
KMT2A Q03164 1/20 0.94
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
ALOX12 P18054 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PLA2G1B P04054 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58

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 SCHEMBL31103612 1.00 DNM1 (1.00) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL11903700 1.00 DNM1 (1.00) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL11546904 1.00 DNM1 (1.00) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL320636 1.00 DNM1 (1.00) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL5594917 1.00 DNM1 (1.00) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL60951 1.00 DNM1 (1.00) DNM1HSP90AA1RAD52HTTKMT2A
Mecetronium SCHEMBL60918 1.00 DNM1 (1.00) DNM1HSP90AA1RAD52HTTKMT2A
Mecetronium SCHEMBL675420 1.00 DNM1 (1.00) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL21253152 1.00 DNM1 (1.00) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL31103710 1.00 DNM1 (1.00) DNM1HSP90AA1RAD52HTTKMT2A

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
US-8728229-B2 Cement slurry composition KAO CORPORATION (JP) 2014-05-20 US disclosed
US-20120000397-A1 CEMENT SLURRY COMPOSITION KAO CORPORATION (JP) 2012-01-05 US disclosed
WO-2010143312-A1 CEMENT SLURRY COMPOSITION KAO CORPORATION (JP) 2010-12-16 WO disclosed