Bromide

Bromide

SCHEMBL11536307

Clc1ccc(C[n+]2ccn3ccccc32)cc1Cl.[Br-]

nearest known ligand 0.39

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 2/20 0.33
LMNA P02545 4/20 0.39
POLB P06746 2/20 0.39
SIGMAR1 Q99720 3/20 0.38
IDO1 P14902 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
BCHE P06276 2/20 0.33
PNMT P11086 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MITF O75030 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 2/20 0.33
PTPRG P23470 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 SCHEMBL11537233 0.83 LMNA (0.42) LMNASIGMAR1IDO1HTTSMN1; SMN2
Bromide SCHEMBL11534815 0.81 ACHE (0.50) POLBSMN1; SMN2SLC6A4NPC1RAB9A
Hydrochloric Acid SCHEMBL11537265 0.81 ALDH1A1 (0.40) POLBSIGMAR1NPC1RAB9AKMT2A
Bromide SCHEMBL11533878 0.80 CA1 (0.45) LMNAHTTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL11540756 0.79 CA1 (0.31)
SCHEMBL11539146 0.78 NPSR1 (0.44) LMNAHTTSMN1; SMN2NPC1RAB9A
Bromide SCHEMBL11537791 0.78 CHKA (0.41) LMNARAB9ATAAR1KMT2AALDH1A1
Bromide SCHEMBL11535509 0.78 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
Bromide SCHEMBL11535913 0.77 ALDH1A1 (0.47) LMNAIDO1SMN1; SMN2SLC6A3NPC1
Hydrochloric Acid SCHEMBL11536281 0.77 NPSR1 (0.43) LMNAHTTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163745-A ANTIDIABETIC, HYPOGLYCEMIC PFIZER INC. (US) 1979-08-07 US disclosed
US-4141898-A Imidazo pyridinium quaternary salts as hypoglycemic agents PFIZER INC. (US) 1979-02-27 US disclosed
US-4129567-A IMIDAZOPYRIDINES AND ISOB IDINE PFIZER INC. (US) 1978-12-12 US disclosed
US-4093616-A PYRROLO(1,2-A)PYRAZINIUM, PYRAZOLO(1,5-A)PYRIDINIUM, 1H-IMIDAZO(2,1-A)ISOQUINOLINIUM, OR IMIDAZO(5,1-A)ISOQUINOLINIUM SALTS PFIZER INC. (US) 1978-06-06 US disclosed