Bromide

Bromide

SCHEMBL8897946

O=C1[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1cccnc1Cl.[Br-]

nearest known ligand 0.35

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 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
FAAH O00519 2/20 0.33
P2RX7 Q99572 3/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LIPE Q05469 1/20 0.31
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.30
ESR2 Q92731 1/20 0.30
GFER P55789 1/20 0.30

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 SCHEMBL8562114 1.00 GAA (0.35) GAAALDH1A1SMN1; SMN2FAAHP2RX7
Bromide SCHEMBL8564801 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KMT2ALMNATSHR
Bromide SCHEMBL8564796 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KMT2ALMNATSHR
Bromide SCHEMBL7621505 0.80 CRBN (0.43) GAAALDH1A1SMN1; SMN2LMNA
Bromide SCHEMBL7621499 0.80 CRBN (0.43) GAAALDH1A1SMN1; SMN2LMNA
Bromide SCHEMBL8560291 0.78 KMT2A (0.45) MEN1KMT2AFPR2LMNA
Bromide SCHEMBL8898107 0.78 KMT2A (0.45) MEN1KMT2AFPR2LMNA
Bromide SCHEMBL8560897 0.76 ALDH1A1 (0.40) ALDH1A1P2RX7MEN1KMT2ALMNA
Bromide SCHEMBL8897674 0.76 ATM (0.51) GAAALDH1A1MEN1KMT2AGFER
Bromide SCHEMBL8560903 0.76 ALDH1A1 (0.40) ALDH1A1P2RX7MEN1KMT2ALMNA

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
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed