Bromide

Bromide

SCHEMBL9056128

CC(=O)OCC[N+]1(C)CCCCC1.[Br-]

nearest known ligand 0.70

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
APOBEC3A P31941 4/20 0.70
APOBEC3G Q9HC16 4/20 0.70
LMNA P02545 3/20 0.70
KDM4E B2RXH2 2/20 0.52
SLC18A3 Q16572 1/20 0.51
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.46
BBOX1 O75936 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.43
TSHR P16473 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
GALR3 O60755 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PABPC1 P11940 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL10556416 0.98 APOBEC3A (0.72) APOBEC3AAPOBEC3GLMNAKDM4ESLC18A3
SCHEMBL10281171 0.82 KDM4E (0.53) APOBEC3AAPOBEC3GLMNAKDM4ESLC18A3
Bromide SCHEMBL1403204 0.82 APOBEC3A (0.50) APOBEC3AAPOBEC3GLMNAKDM4ESLC18A3
SCHEMBL29793338 0.82 KDM4E (0.52) APOBEC3AAPOBEC3GLMNAKDM4ESLC18A3
SCHEMBL21694118 0.80 APOBEC3A (0.51) APOBEC3AAPOBEC3GLMNAKDM4ESLC18A3
SCHEMBL3367030 0.79 APOBEC3A (0.54) APOBEC3AAPOBEC3GLMNASLC18A3CTDSP1
SCHEMBL29793250 0.78 BBOX1 (0.50) APOBEC3AAPOBEC3GLMNAKDM4ESLC18A3
SCHEMBL1598533 0.78 LMNA (0.49) APOBEC3AAPOBEC3GLMNAKDM4ESLC18A3
SCHEMBL12633575 0.78 SLC18A3 (0.60) APOBEC3AAPOBEC3GLMNAKDM4ESLC18A3
SCHEMBL9784661 0.78 APOBEC3A (0.49) APOBEC3AAPOBEC3GLMNAKDM4ESLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314619-B1 Epoxy resin mixture CIBA GEIGY AG (CH) 1996-07-10 EP disclosed
US-4885354-A Epoxy resin compositions CIBA-GEIGY CORPORATION (US) 1989-12-05 US disclosed
EP-0314619-A2 Epoxy resin mixture CIBA-GEIGY AG (CH) 1989-05-03 EP disclosed