Bromide

Bromide

SCHEMBL7469202

Br.COc1ccc(N(C(=O)Oc2c3ccccc3nc3ccccc23)S(=O)(=O)c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.54

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 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.43
F2 P00734 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 2/20 0.42
AKR1C3 P42330 1/20 0.42
GFER P55789 1/20 0.41

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 SCHEMBL7459708 0.89 HSP90AA1 (0.50) KMT2AMAPTALDH1A1GAAHSP90AA1
SCHEMBL7470894 0.87 KMT2A (0.44) KMT2AMAPTALDH1A1GAAHSP90AA1
SCHEMBL9407963 0.85 MAPT (0.43) KMT2AMAPTALDH1A1GAAHSP90AA1
Bromide SCHEMBL8076530 0.80 KEAP1 (0.46) KMT2AMAPTALDH1A1GAAHSP90AA1
Bromide SCHEMBL7464567 0.80 TAS2R14 (0.40) KMT2AALDH1A1MEN1
Bromide SCHEMBL8066350 0.79 PTGES (0.45) KMT2AMAPTALDH1A1HSP90AA1KDM4E
SCHEMBL10691854 0.78 TAS2R14 (0.41) KMT2AALDH1A1MEN1
SCHEMBL7471994 0.78 KEAP1 (0.47) KMT2AMAPTALDH1A1GAAHSP90AA1
Bromide SCHEMBL8076287 0.78 KEAP1 (0.43) KMT2AMAPTALDH1A1GAAHSP90AA1
SCHEMBL9407899 0.76 ALDH1A1 (0.43) KMT2AMAPTALDH1A1GAAHSP90AA1

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-0647628-B1 Acridinium derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2002-09-11 EP disclosed
EP-0257541-B1 Chemilumuniscent acridine derivatives and their use in luminescence immunoassays HOECHST AG (DE) 1996-01-03 EP disclosed
EP-0647628-A1 Acridmium derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-12 EP disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0257541-A2 Chemilumuniscent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-02 EP disclosed