Bromide

Bromide

SCHEMBL8562995

CC(C)(C)OC(=O)CCC(=O)Nc1ccc(Cc2ccccc2[P+](c2ccccc2)(c2ccccc2)C2CCNC2=O)cc1.[Br-]

nearest known ligand 0.38

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
MAPT P10636 4/20 0.38
GAA P10253 1/20 0.38
LTA4H P09960 2/20 0.36
USP2 O75604 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 1/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 0.32
CA2 P00918 1/20 0.32

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 SCHEMBL8899853 0.74 PKM (0.41) MAPTGAALTA4HHDAC8MEN1
Bromide SCHEMBL8899846 0.74 PKM (0.41) MAPTGAALTA4HHDAC8MEN1
Bromide SCHEMBL8562989 0.72 MAPT (0.41) MAPTGAALTA4HUSP2HDAC8
SCHEMBL26814989 0.62 HPGD (0.56) MAPTGAAHDAC8MEN1KMT2A
SCHEMBL30207564 0.62 HPGD (0.57) LTA4HHDAC8
SCHEMBL8563968 0.62 HDAC8 (0.40) MAPTGAAHDAC8ALDH1A1
SCHEMBL28527020 0.60 HDAC8 (0.57) MAPTGAAHDAC8MEN1KMT2A
SCHEMBL29714948 0.59 HDAC8 (0.59) HDAC8MEN1KMT2AALDH1A1POLB
SCHEMBL24880999 0.59 HDAC8 (0.61) HDAC8CA2
SCHEMBL9158253 0.59 MAPT (0.53) MAPTGAAALDH1A1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 US disclosed