Bromide

Bromide

SCHEMBL8035885

CC(C)c1cccc[n+]1CCc1ccccc1.[Br-]

nearest known ligand 0.45

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
AOC3 Q16853 2/20 0.38
SIGMAR1 Q99720 5/20 0.37
SLC6A2 P23975 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TP53 P04637 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL13658185 0.80 CYP2D6 (0.47) SIGMAR1SLC6A2TAAR1MAOASLC6A4
Bromide SCHEMBL6229520 0.77 NPC1 (0.63) TAAR1MAOACYP2A6NPC1POLB
SCHEMBL5306247 0.75 NPC1 (0.44) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6231742 0.74 NPC1 (0.60) TAAR1MAOACYP2A6NPC1POLB
Bromide SCHEMBL8025979 0.74 TP53 (0.45) AOC3SLC6A2TAAR1MAOASLC6A4
SCHEMBL5810465 0.74 SMN1; SMN2 (0.50) SLC6A2SLC6A4SLC6A3NPC1POLB
SCHEMBL5327172 0.74 KDM4E (0.38) SIGMAR1SLC6A2TAAR1MAOASLC6A4
Bromide SCHEMBL11799324 0.73 ALDH1A1 (0.37) TAAR1MAOACYP2A6NPC1POLB
Hydrochloric Acid SCHEMBL8857341 0.73 RAB9A (0.58) TAAR1MAOANPC1POLBRAB9A
SCHEMBL5303543 0.72 SMN1; SMN2 (0.53) SLC6A2SLC6A4SLC6A3NPC1POLB

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
EP-0820607-B1 PHOTOGRAPHIC SYSTEM POLAROID CORP (US) 2000-03-22 EP disclosed
EP-0820607-A1 PHOTOGRAPHIC SYSTEM POLAROID CORPORATION (US) 1998-01-28 EP disclosed
US-5705312-A PHOTOGRAPHIC FILM DEVELOPMENT OF SILVER HALIDE EMULSIONS TO FORM IMAGES ON SHEETS WITH RUPTURABLE CONTAINERS POLAROID CORPORATION (US) 1998-01-06 US disclosed
WO-1997029405-A1 PHOTOGRAPHIC SYSTEM POLAROID CORPORATION (US) 1997-08-14 WO disclosed
US-4123330-A Color diffusion transfer process using benzyl alcohol and derivatives thereof KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1978-10-31 US disclosed