SCHEMBL9396209

SCHEMBL9396209

COc1ccc(CC(C)CON2C(N)=NC(N)=NC2(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
DHFR P00374 13/20 0.52
CYP2D6 P10635 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8934280 0.87 SLC2A1 (0.54) SLC2A1DHFR
SCHEMBL8934091 0.81 DHFR (0.73) DHFRCYP2D6HTTL3MBTL1
SCHEMBL8934057 0.78 DHFR (0.79) SLC2A1DHFR
SCHEMBL9395580 0.77 DHFR (0.54) SLC2A1DHFRCYP2D6HTTL3MBTL1
SCHEMBL8934076 0.77 DHFR (0.75) DHFR
Bromide SCHEMBL9394970 0.76 DHFR (0.55) SLC2A1DHFRCYP2D6HTTL3MBTL1
SCHEMBL9397788 0.75 SLC2A1 (0.57) SLC2A1DHFR
SCHEMBL672059 0.73 DHFR (0.70) DHFRCYP2D6HTTL3MBTL1
Bromide SCHEMBL9394985 0.69 DHFR (0.73) SLC2A1DHFR
SCHEMBL8934277 0.68 DHFR (0.60) SLC2A1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300503-A Larvicides FMC CORPORATION (US) 1994-04-05 US claimed