Bromide

Bromide

SCHEMBL8370980

Br.COc1ccccc1C(=O)Cc1ccncc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 2/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 2/20 0.50
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
TP53 P04637 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CTSD P07339 1/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL6281987 0.98 POLB (0.63) POLBSMN1; SMN2MAPTNPC1TSHR
SCHEMBL29861033 0.85 NPC1 (0.63) POLBSMN1; SMN2NPC1RAB9ACTNNB1
SCHEMBL3282912 0.85 NPC1 (0.63) POLBSMN1; SMN2NPC1RAB9ACTNNB1
SCHEMBL19419913 0.83 TP53 (0.56) SMN1; SMN2MAPTNPC1RAB9ACTNNB1
Hydrochloric Acid SCHEMBL8968371 0.81 IDO1 (0.61) POLBNPC1TSHRRAB9AL3MBTL1
Bromide SCHEMBL8967719 0.80 MAPK1 (0.59) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8968394 0.78 NPC1 (0.50) POLBSMN1; SMN2NPC1RAB9ACTNNB1
SCHEMBL5258963 0.78 MAPK1 (0.60) POLBSMN1; SMN2MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL11475020 0.77 POLB (0.59) POLBSMN1; SMN2MAPTNPC1TSHR
Bromide SCHEMBL2691175 0.76 ALDH1A1 (0.56) SMN1; SMN2MAPTTSHRTP53USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004719-A ACID-GENERATING LAYER OR PHASE COMPRISING A MIXTURE OF A SUPERACID PRECURSOR, A SENSITIZING DYE AND A SECONDARY ACID GENERATOR, AND A COLOR-CHANGE LAYER OR PHASE COMPRISING AN IMAGE DYE. POLAROID CORPORATION (US) 1999-12-21 US disclosed
EP-0757629-B1 IMAGING MEDIUM AND PROCESS POLAROID CORP (US) 1999-01-20 EP disclosed
US-5631118-A MULTILAYER ELEMENT WITH ACID GENERATING LAYER, ACID PRECURSOR, SENSITIZING DYE, ACID GENERATOR AND COLOR CHANGING LAYER POLAROID CORPORATION (US) 1997-05-20 US disclosed
EP-0757629-A1 IMAGING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1997-02-12 EP disclosed
US-5541032-A CHARGE STABILIZERS WHICH ARE INSENSITIVE TO MOISTURE, HEAT RESISTANT AND PRODUCE CRISP, UNIFORM VISIBLE IMAGES OF HIGH COLOR INTENSITY BASF AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
WO-1995029068-A1 IMAGING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1995-11-02 WO disclosed
US-5441850-A Exposing medium to actinic radiation in specified wavelength so sensitizing dye decomposes superacid precursor, heating to decompose secondary acid generator, mixing acid generating and color change layers to form image, providing base to restore POLAROID CORPORATION (US) 1995-08-15 US disclosed