Bromide

Bromide

SCHEMBL7940873

CC(=O)[n+]1cn(Cc2ccc([N+](=O)[O-])cc2)c2c(=O)[nH]c(N)nc21.[Br-]

nearest known ligand 0.52

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 9)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.52
DHFR P00374 1/20 0.52
EIF4E P06730 7/20 0.44
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
BRAF P15056 1/20 0.36

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
Hydrochloric Acid SCHEMBL7813292 0.74 DHFR (0.56) TYMSDHFRMEN1LMNAKMT2A
SCHEMBL7813638 0.73 TYMS (0.60) TYMSDHFRMEN1KMT2AL3MBTL1
SCHEMBL28021120 0.68 PNP (0.70) TYMSDHFRMEN1LMNAKMT2A
Bromide SCHEMBL7806174 0.68 MEN1 (0.37) TYMSDHFREIF4EMEN1LMNA
SCHEMBL7813634 0.63 MEN1 (0.45) TYMSDHFRMEN1LMNAKMT2A
Bromide SCHEMBL7940869 0.63 MEN1 (0.44) TYMSDHFRMEN1LMNAKMT2A
SCHEMBL8673113 0.61 MEN1 (0.58) TYMSDHFRMEN1LMNAKMT2A
SCHEMBL30072053 0.59 LMNA (0.56) MEN1LMNAKMT2A
SCHEMBL16028279 0.59 TYMS (0.53) TYMSEIF4ELMNAKMT2A
SCHEMBL23296136 0.58 DBH (0.54) MEN1LMNAKMT2APOLB

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-6245910-B1 Process for producing purine derivatives AJINOMOTO CO., INC. (JP) 2001-06-12 US disclosed