SCHEMBL8525003

SCHEMBL8525003

C=CCOc1c(C(=O)c2ccc(-n3cncn3)cc2C(F)(F)F)cnn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
MAPK10 P53779 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NR2F2 P24468 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TTK P33981 1/20 0.32
GRM2 Q14416 1/20 0.31
ELOVL6 Q9H5J4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SYK P43405 2/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 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
SCHEMBL8525613 0.85 MAPK10 (0.40) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8524928 0.84 LRRK2 (0.39) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8525911 0.83 LRRK2 (0.38) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8524688 0.81 LRRK2 (0.39) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8524806 0.80 MAPK10 (0.39) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8526508 0.79 MAPK10 (0.38) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8525033 0.78 LRRK2 (0.35) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8525951 0.75 MAPT (0.41) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8180740 0.72 MAPK10 (0.43) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8524143 0.72 LRRK2 (0.38) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT

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