SCHEMBL8934086

SCHEMBL8934086

CCCc1cc(CC)ccc1OCCCON1C(N)=NC(N)=NC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 17/20 0.57
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
SCHEMBL29453933 0.80 SLC2A1 (0.69) DHFRSLC2A1
SCHEMBL14870312 0.74 DHFR (0.77) DHFRSLC2A1
SCHEMBL8635467 0.73 DHFR (1.00) DHFRSLC2A1
SCHEMBL29579939 0.73 DHFR (1.00) DHFRSLC2A1
Bromide SCHEMBL9396234 0.73 DHFR (0.66) DHFRSLC2A1
SCHEMBL8933961 0.72 DHFR (0.75) DHFR
SCHEMBL8934102 0.71 DHFR (0.63) DHFR
SCHEMBL29546342 0.71 DHFR (0.71) DHFRSLC2A1
SCHEMBL8934111 0.71 DHFR (0.67) DHFR
SCHEMBL29360399 0.70 SLC2A1 (0.98) 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