SCHEMBL8934069

SCHEMBL8934069

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

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 17/20 0.63
SLC2A1 P11166 1/20 0.51

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 SCHEMBL8933969 0.99 DHFR (0.65) DHFRSLC2A1
SCHEMBL8934076 0.84 DHFR (0.75) DHFR
SCHEMBL8934057 0.80 DHFR (0.79) DHFRSLC2A1
Bromide SCHEMBL9397834 0.79 DHFR (0.71) DHFRSLC2A1
SCHEMBL8934046 0.75 DHFR (0.61) DHFRSLC2A1
SCHEMBL8934292 0.74 DHFR (0.77) DHFRSLC2A1
Bromide SCHEMBL8933944 0.74 DHFR (0.64) DHFRSLC2A1
Bromide SCHEMBL8934100 0.74 DHFR (0.64) DHFRSLC2A1
SCHEMBL8934286 0.73 NPC1 (0.37) DHFR
Bromide SCHEMBL8934281 0.73 DHFR (0.78) 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 3 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
WO-1996015672-A1 FUNGICIDAL COMPOSITION ZENECA LIMITED (GB) 1996-05-30 WO disclosed