Bromide

Bromide

SCHEMBL3249673

Br.C=C(CNC(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.43

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 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.41
SLC6A3 known ✓ Q01959 1/20 0.41
HTT P42858 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NPBWR1 P48145 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCHR1 Q99705 1/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29045009 0.81 ALDH1A1 (0.54) HTTL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL528358 0.76 ALDH1A1 (0.52) HTTL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10873736 0.74 ALDH1A1 (0.50) HTTL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1045139 0.74 ALDH1A1 (0.58) HTTL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL26128842 0.74 ALDH1A1 (0.53) HTTL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6696083 0.74 ALDH1A1 (0.61) HTTL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL824071 0.74 ALDH1A1 (0.53) HTTL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1520510 0.72 ALDH1A1 (0.52) HTTL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL672369 0.72 ALDH1A1 (0.52) HTTL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7919473 0.72 ALDH1A1 (0.52) HTTL3MBTL1ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255616-B1 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT SURFACE-COATINGS BY PLASMA-OR CORONAACTIVATED GRAFTING BASF SE (DE) 2010-05-05 EP disclosed
WO-2005089957-A1 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT COATINGS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-09-29 WO disclosed
US-6733847-B2 DEPOSITION OF ELECTRON- OR H-DONORS HAVING AT LEAST ONE ETHYLENICALLY UNSATURATED GROUP ON A PLASMA-ACTIVATED SUBSTRATE, CURING BY IONIZATION RADIATION OR ELECTROMAGNETIC ENERGY CIBA SPECIALTY CHEMICALS CORPORATION 2004-05-11 US disclosed
US-20030129322-A1 Process for the production of strongly adherent surface-coatings by plasma-activated grafting CIBA SPECIALTY CHEMICALS CORP. 2003-07-10 US disclosed
EP-1255616-A2 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT SURFACE-COATINGS BY PLASMA-ACTIVATED GRAFTING Ciba SC Holding AG (CH) 2002-11-13 EP disclosed
WO-2001058971-A2 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT SURFACE-COATINGS BY PLASMA-ACTIVATED GRAFTING CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-16 WO disclosed