SCHEMBL8526508

SCHEMBL8526508

Cn1ncc(C(=O)c2ccc(-n3cncn3)cc2C(F)(F)F)c1OS(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.38
HSD11B1 P28845 2/20 0.36
LRRK2 Q5S007 1/20 0.35
P2RX7 Q99572 1/20 0.33
MMP12 P39900 1/20 0.33
CTSS P25774 1/20 0.32
CNR1 P21554 1/20 0.32
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HPGD P15428 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 1/20 0.31
CYP19A1 P11511 1/20 0.31
ESR2 Q92731 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
KAT6A Q92794 1/20 0.30

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
SCHEMBL8525033 0.92 LRRK2 (0.35) MAPK10HSD11B1LRRK2MMP12CTSS
SCHEMBL8524723 0.86 MAPK10 (0.35) MAPK10HSD11B1LRRK2P2RX7MMP12
SCHEMBL8524806 0.84 MAPK10 (0.39) MAPK10HSD11B1LRRK2MAPTALDH1A1
SCHEMBL8525613 0.83 MAPK10 (0.40) MAPK10LRRK2MAPTHSP90AA1HTT
SCHEMBL8524928 0.83 LRRK2 (0.39) MAPK10HSD11B1LRRK2CTSSMAPT
SCHEMBL8525911 0.81 LRRK2 (0.38) MAPK10HSD11B1LRRK2CTSSMAPT
SCHEMBL8524688 0.79 LRRK2 (0.39) MAPK10HSD11B1LRRK2CTSSMAPT
SCHEMBL8525003 0.79 LRRK2 (0.40) MAPK10HSD11B1LRRK2MAPTALDH1A1
SCHEMBL8180740 0.73 MAPK10 (0.43) MAPK10LRRK2CTSSMAPTALDH1A1
SCHEMBL8525061 0.72 F9 (0.37) MMP12MAPTALDH1A1HSP90AA1HTT

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-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed