Bromide

Bromide

SCHEMBL8933969

Br.COc1cc(OCCCCCCON2C(N)=NC(N)=NC2(C)C)cc(OC)c1OC

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 17/20 0.65
SLC2A1 P11166 1/20 0.53

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
SCHEMBL8934069 0.99 DHFR (0.63) DHFRSLC2A1
SCHEMBL8934076 0.83 DHFR (0.75) DHFR
Bromide SCHEMBL9397834 0.81 DHFR (0.71) DHFRSLC2A1
SCHEMBL8934057 0.79 DHFR (0.79) DHFRSLC2A1
Bromide SCHEMBL8934100 0.76 DHFR (0.64) DHFRSLC2A1
Bromide SCHEMBL8933944 0.76 DHFR (0.64) DHFRSLC2A1
Bromide SCHEMBL8934281 0.75 DHFR (0.78) DHFRSLC2A1
Bromide SCHEMBL9395294 0.75 DHFR (0.62) DHFRSLC2A1
SCHEMBL8934046 0.74 DHFR (0.61) DHFRSLC2A1
SCHEMBL8934292 0.73 DHFR (0.77) DHFRSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996015671-A1 HERBICIDES ZENECA LIMITED (GB) 1996-05-30 WO disclosed
WO-1996015672-A1 FUNGICIDAL COMPOSITION ZENECA LIMITED (GB) 1996-05-30 WO disclosed