SCHEMBL8524684

SCHEMBL8524684

Cc1nn(C)c(OS(=O)(=O)C(C)C)c1C(=O)c1ccc(-n2cncn2)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
MAPK10 P53779 1/20 0.33
MMP12 P39900 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 2/20 0.32
GRM2 Q14416 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ABCB1 P08183 2/20 0.32
CTSS P25774 1/20 0.32
LMNA P02545 1/20 0.31
PTGER4 P35408 1/20 0.30
CNR1 P21554 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
SCHEMBL8524723 0.87 MAPK10 (0.35) MAPTMAPK10MMP12HSP90AA1HTT
SCHEMBL8524143 0.87 LRRK2 (0.38) MAPTMAPK10HSP90AA1HTTSMN1; SMN2
SCHEMBL8525951 0.86 MAPT (0.41) MAPTMAPK10HSP90AA1HTTSMN1; SMN2
SCHEMBL8525055 0.85 MAPK10 (0.35) MAPTMAPK10HSP90AA1HTTSMN1; SMN2
SCHEMBL8524279 0.85 LRRK2 (0.35) MAPTMAPK10MMP12HSP90AA1HTT
SCHEMBL8652662 0.82 MAPT (0.36) MAPTMAPK10HSP90AA1HTTSMN1; SMN2
SCHEMBL8524608 0.82 MAPT (0.35) MAPTMAPK10HSP90AA1HTTSMN1; SMN2
SCHEMBL8525843 0.81 PTGER1 (0.39) MAPTMAPK10HSP90AA1HTTSMN1; SMN2
SCHEMBL8525817 0.81 MAPK10 (0.36) MAPTMAPK10HSP90AA1HTTSMN1; SMN2
SCHEMBL8525061 0.73 F9 (0.37) MAPTMMP12HSP90AA1HTTSMN1; SMN2

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