Bromide

Bromide

SCHEMBL23458489

CC(C)(C)OC(=O)CC[n+]1ccc(-c2nc3ncncc3s2)cc1.[Br-]

nearest known ligand 0.34

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 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.34
PAX8 Q06710 1/20 0.34
STING1 Q86WV6 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
SCHEMBL23486113 0.99 DYRK1A (0.35) DYRK1APAX8STING1
SCHEMBL23486249 0.82 KDM4E (0.34)
SCHEMBL23458575 0.82
Hydrochloric Acid SCHEMBL23458577 0.82 KDM4E (0.33)
Bromide SCHEMBL23163320 0.74 STING1 (0.33) DYRK1APAX8STING1
Bromide SCHEMBL23458436 0.72 RAB9A (0.38) DYRK1A
SCHEMBL23196664 0.72 STING1 (0.34) DYRK1APAX8STING1
SCHEMBL23486158 0.71 RAB9A (0.38) DYRK1A
Bromide SCHEMBL23143425 0.70 EGLN2 (0.39)
SCHEMBL23458477 0.66 KDM4E (0.49)

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
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed