Bromide

Bromide

SCHEMBL3869612

CC[n+]1ccccc1N.[Br-]

nearest known ligand 0.41

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
ACHE known ✓ P22303 14/20 0.36
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.37
BCHE P06276 13/20 0.36
RGS12 O14924 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
RAD52 P43351 1/20 0.34

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
SCHEMBL7481437 0.98
Hydrochloric Acid SCHEMBL28333963 0.95 KDM4E (0.39) NPC1RAB9ASMN1; SMN2POLBKDM4E
Iodide SCHEMBL8863463 0.95 KDM4E (0.42) NPC1RAB9ASMN1; SMN2POLBKDM4E
Formamide SCHEMBL28309029 0.88 KDM4E (0.38) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL28336484 0.80 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL28003674 0.77 NPC1 (0.50) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL2263114 0.75 NPC1 (0.57) NPC1RAB9ASMN1; SMN2POLBKDM4E
Hydrochloric Acid SCHEMBL28992847 0.75 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBKDM4E
Bromide SCHEMBL29573873 0.74 NPC1 (0.63) NPC1RAB9ASMN1; SMN2POLBKDM4E
Bromide SCHEMBL636878 0.74 NPC1 (0.63) NPC1RAB9ASMN1; SMN2POLBKDM4E

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
EP-2064068-A1 INK-JET RECORDING METHOD, INK-JET RECORDING APPARATUS AND RECORDED MATTER Ricoh Company, Ltd. (JP) 2009-06-03 EP disclosed
WO-2009001967-A1 INK-JET RECORDING METHOD, INK-JET RECORDING APPARATUS AND RECORDED MATTER RICOH COMPANY, LTD. (JP) 2008-12-31 WO disclosed