SCHEMBL7896541

SCHEMBL7896541

COc1ccc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.40
PIK3CD O00329 1/20 0.40
CSNK2A2 P19784 1/20 0.40
FECH P22830 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3A P49840 1/20 0.40
DYRK1A Q13627 1/20 0.40
MELK Q14680 1/20 0.40
MYLK3 Q32MK0 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
TP53RK Q96S44 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
RPTOR Q8N122 1/20 0.39
MLST8 Q9BVC4 1/20 0.39

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
SCHEMBL7557543 0.80 GSK3A (0.46) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8305252 0.78 ATM (0.42) MTORPIK3CDCSNK2A2FECHPIK3CA
SCHEMBL7897890 0.75 BCAT1 (0.49) MEN1KMT2AOXTR
SCHEMBL14571462 0.75 BRD9 (0.41) PTGS1PTGS2MAPT
SCHEMBL7887352 0.74 GSK3A (0.43) GSK3APTGS2MEN1KMT2AMAPT
SCHEMBL8993528 0.74 SMN1; SMN2 (0.44) GSK3AKMT2AMAPT
SCHEMBL7888772 0.74 GSK3A (0.40) GSK3APTGS2MEN1KMT2A
SCHEMBL8700806 0.74 GSK3A (0.37) GSK3APTGS1PTGS2MEN1KMT2A
SCHEMBL7846203 0.74 GSK3A (0.37) MTORPIK3CAGSK3APTGS2MEN1
SCHEMBL7459811 0.74 LPAR5 (0.34)

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-6187716-B1 PREPARING THESE SUBSTANCES AND THEIR USE AS HERBICIDES. BAYER AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed