SCHEMBL8524688

SCHEMBL8524688

Cn1ncc(C(=O)c2ccc(-n3cncn3)cc2C(F)(F)F)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD11B1 P28845 2/20 0.34
NOTUM Q6P988 2/20 0.33
CTSS P25774 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.32
F9 P00740 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL8524928 0.85 LRRK2 (0.39) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8525911 0.83 LRRK2 (0.38) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8524608 0.82 MAPT (0.35) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8524806 0.81 MAPK10 (0.39) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8525003 0.81 LRRK2 (0.40) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8525613 0.80 MAPK10 (0.40) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8180740 0.80 MAPK10 (0.43) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8526508 0.79 MAPK10 (0.38) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8525033 0.79 LRRK2 (0.35) LRRK2MAPK10SMN1; SMN2HSP90AA1MAPT
SCHEMBL8175262 0.77 CYP1A2 (0.48) 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