SCHEMBL8525951

SCHEMBL8525951

CCOc1c(C(=O)c2ccc(-n3cncn3)cc2C(F)(F)F)c(C)nn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK10 P53779 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GRM2 Q14416 1/20 0.34
TTK P33981 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
GRM7 Q14831 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
F9 P00740 1/20 0.33
ABCB1 P08183 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL8524143 0.91 LRRK2 (0.38) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8652662 0.90 MAPT (0.36) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8525055 0.90 MAPK10 (0.35) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8525843 0.89 PTGER1 (0.39) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8524608 0.86 MAPT (0.35) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8525817 0.86 MAPK10 (0.36) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8524684 0.86 MAPT (0.33) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8524279 0.86 LRRK2 (0.35) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8524723 0.84 MAPK10 (0.35) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8524369 0.75 PTGER1 (0.44) MAPTHSP90AA1HTTSMN1; SMN2ALDH1A1

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