Bromide

Bromide

SCHEMBL4620833

COc1ccc2c(c1)c(C)cc[n+]2CCC[N+](C)(C)C.[Br-].[Br-]

nearest known ligand 0.55

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 3/20 0.38
CHRM1 known ✓ P11229 3/20 0.38
CHRM3 known ✓ P20309 3/20 0.38
ACHE known ✓ P22303 2/20 0.34
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PPM1A P35813 4/20 0.41
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
KDM4E B2RXH2 4/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
BCHE P06276 1/20 0.34
MAPT P10636 2/20 0.34
APOBEC3A P31941 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL4619723 0.78 KDM4E (0.57) NPC1RAB9AKDM4ELMNAPOLB
Bromide SCHEMBL6865008 0.78 ACHE (0.56) ACHEBCHE
SCHEMBL16865134 0.76 KDM4E (0.55) NPC1RAB9AKDM4ELMNAPOLB
Bromide SCHEMBL4619927 0.71 LMNA (0.44) NPC1RAB9APPM1AKDM4ELMNA
Bromide SCHEMBL4619930 0.71 LMNA (0.44) NPC1RAB9APPM1AKDM4ELMNA
Hydrochloric Acid SCHEMBL11597659 0.70 NPC1 (0.60) NPC1RAB9APPM1AKDM4ELMNA
SCHEMBL12160925 0.70 NPC1 (0.55) NPC1RAB9AGRIN1GRIN2AKDM4E
SCHEMBL2796426 0.68 NPC1 (0.54) NPC1RAB9AGRIN1GRIN2AKDM4E
SCHEMBL18799222 0.66 KDM4E (0.52) NPC1RAB9AKDM4ELMNAPOLB
Bromide SCHEMBL50240 0.65 KDM4E (0.55) NPC1RAB9AKDM4ELMNAPOLB

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