SCHEMBL8524723

SCHEMBL8524723

Cc1nn(C)c(OS(=O)(=O)c2ccccc2)c1C(=O)c1ccc(-n2cncn2)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.35
HSD11B1 P28845 2/20 0.35
ABCB1 P08183 2/20 0.34
LMNA P02545 2/20 0.34
MMP12 P39900 1/20 0.32
MAPT P10636 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LRRK2 Q5S007 1/20 0.31
CTSS P25774 1/20 0.31
P2RX7 Q99572 1/20 0.31
AR P10275 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
CNR1 P21554 1/20 0.31
PTGER4 P35408 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
SCHEMBL8525061 0.87 F9 (0.37) ABCB1LMNAMMP12MAPTHSP90AA1
SCHEMBL8524684 0.87 MAPT (0.33) MAPK10HSD11B1ABCB1LMNAMMP12
SCHEMBL8526508 0.86 MAPK10 (0.38) MAPK10HSD11B1MMP12MAPTHSP90AA1
SCHEMBL8524143 0.85 LRRK2 (0.38) MAPK10HSD11B1MAPTHSP90AA1HTT
SCHEMBL8525817 0.85 MAPK10 (0.36) MAPK10HSD11B1ABCB1LMNAMAPT
SCHEMBL8525843 0.85 PTGER1 (0.39) MAPK10ABCB1LMNAMAPTHSP90AA1
SCHEMBL8525951 0.84 MAPT (0.41) MAPK10ABCB1MAPTHSP90AA1HTT
SCHEMBL8525055 0.84 MAPK10 (0.35) MAPK10HSD11B1ABCB1MAPTHSP90AA1
SCHEMBL8652662 0.81 MAPT (0.36) MAPK10ABCB1MAPTHSP90AA1HTT
SCHEMBL8524608 0.81 MAPT (0.35) MAPK10HSD11B1LMNAMAPTHSP90AA1

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