SCHEMBL21032604

SCHEMBL21032604

C/C(C(=O)Nc1nc(Oc2cccnc2OCC(=O)O)c(Cl)cc1F)=C(/C=N)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK8 P45983 1/20 0.33
P2RY1 P47900 4/20 0.33
DGAT2 Q96PD7 1/20 0.32
CARM1 Q86X55 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1A P35348 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PRMT6 Q96LA8 1/20 0.31
CTSA P10619 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL22789749 0.73 MEN1 (0.41) MAPTMAPK8P2RY1MEN1KMT2A
SCHEMBL19655801 0.72 MEN1 (0.32) MAPTMAPK8P2RY1DGAT2HTR1A
SCHEMBL21038259 0.71 MEN1 (0.33) MAPTMAPK8P2RY1HTR1ADRD2
SCHEMBL19827988 0.70 P2RY1 (0.35) MAPTNPC1RAB9AMAPK8P2RY1
SCHEMBL21038603 0.69 MAPK8 (0.41) MAPTMAPK8P2RY1CARM1HTR1A
SCHEMBL21038249 0.68 MAPK8 (0.40) MAPTNPC1RAB9AMAPK8P2RY1
SCHEMBL21033435 0.67 MAPT (0.40) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL31625540 0.67 PKM (0.34) MAPK8P2RY1HTR1ADRD2ADRA1A
SCHEMBL21001208 0.67 PKM (0.34) MAPK8P2RY1HTR1ADRD2ADRA1A
SCHEMBL29813459 0.66 PKM (0.50) NPC1RAB9ACARM1PTGDR2HIF1A

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
WO-2019101513-A1 HERBICIDAL PYRIDYLETHERS BASF SE (DE) 2019-05-31 WO disclosed