SCHEMBL8525613

SCHEMBL8525613

Cn1ncc(C(=O)c2ccc(-n3cncn3)cc2C(F)(F)F)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.40
PTGER1 P34995 1/20 0.38
LRRK2 Q5S007 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8525843 0.86 PTGER1 (0.39) MAPK10PTGER1LRRK2SMN1; SMN2NPC1
SCHEMBL8524806 0.85 MAPK10 (0.39) MAPK10LRRK2SMN1; SMN2MAPTHSP90AA1
SCHEMBL8525003 0.85 LRRK2 (0.40) MAPK10LRRK2SMN1; SMN2RAB9AMAPT
SCHEMBL8526508 0.83 MAPK10 (0.38) MAPK10LRRK2SMN1; SMN2MAPTHSP90AA1
SCHEMBL8524928 0.83 LRRK2 (0.39) MAPK10LRRK2SMN1; SMN2RAB9AMAPT
SCHEMBL8525911 0.82 LRRK2 (0.38) MAPK10LRRK2SMN1; SMN2MAPTHSP90AA1
SCHEMBL8524688 0.80 LRRK2 (0.39) MAPK10LRRK2SMN1; SMN2RAB9AMAPT
SCHEMBL8525033 0.78 LRRK2 (0.35) MAPK10LRRK2SMN1; SMN2MAPTHSP90AA1
SCHEMBL8525951 0.75 MAPT (0.41) MAPK10LRRK2SMN1; SMN2MAPTHSP90AA1
SCHEMBL8180740 0.74 MAPK10 (0.43) MAPK10LRRK2SMN1; SMN2RAB9AMAPT

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