SCHEMBL8934091

SCHEMBL8934091

COc1ccc(CCCON2C(N)=NC(N)=NC2(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 15/20 0.73
CYP2D6 P10635 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL8934057 0.87 DHFR (0.79) DHFR
SCHEMBL8934076 0.86 DHFR (0.75) DHFR
SCHEMBL9396209 0.81 SLC2A1 (0.58) DHFRCYP2D6HTTL3MBTL1
SCHEMBL8934111 0.81 DHFR (0.67) DHFR
SCHEMBL9395580 0.79 DHFR (0.54) DHFRCYP2D6HTTL3MBTL1
Bromide SCHEMBL9394970 0.78 DHFR (0.55) DHFRCYP2D6HTTL3MBTL1
SCHEMBL8934097 0.78 DHFR (0.62) DHFR
SCHEMBL672059 0.75 DHFR (0.70) DHFRCYP2D6HTTL3MBTL1
Bromide SCHEMBL9395041 0.74 DHFR (0.68) DHFR
SCHEMBL8934102 0.73 DHFR (0.63) DHFR

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