SCHEMBL8934057

SCHEMBL8934057

COc1ccc(OCCCON2C(N)=NC(N)=NC2(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 14/20 0.79
SLC2A1 P11166 1/20 0.58

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
SCHEMBL8934076 0.96 DHFR (0.75) DHFR
SCHEMBL8934292 0.88 DHFR (0.77) DHFRSLC2A1
SCHEMBL8934091 0.87 DHFR (0.73) DHFR
SCHEMBL8934136 0.81 DHFR (0.85) DHFRSLC2A1
SCHEMBL9395580 0.81 DHFR (0.54) DHFRSLC2A1
Bromide SCHEMBL9397834 0.81 DHFR (0.71) DHFRSLC2A1
Bromide SCHEMBL9394970 0.80 DHFR (0.55) DHFRSLC2A1
SCHEMBL8934069 0.80 DHFR (0.63) DHFRSLC2A1
SCHEMBL8934103 0.77 SLC2A1 (0.71) DHFRSLC2A1
Bromide SCHEMBL9395294 0.74 DHFR (0.62) 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 claimed
WO-1996015671-A1 HERBICIDES ZENECA LIMITED (GB) 1996-05-30 WO disclosed