SCHEMBL8524448

SCHEMBL8524448

CN(C)C=C(C(=O)c1ccc(-n2cncn2)cc1C(F)(F)F)C(=O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.37
LRRK2 Q5S007 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CTSS P25774 1/20 0.35
HSD11B1 P28845 2/20 0.34
MAPK10 P53779 1/20 0.34
NOTUM Q6P988 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
SYK P43405 1/20 0.32
F9 P00740 2/20 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
SCHEMBL8524446 1.00 GPR119 (0.37) GPR119LRRK2SMN1; SMN2HSP90AA1MAPT
SCHEMBL8491859 0.86 SMN1; SMN2 (0.40) GPR119SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL8491854 0.84 SMN1; SMN2 (0.36) GPR119SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL8491847 0.84 SMN1; SMN2 (0.36) GPR119SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL8524662 0.83 ALDH1A1 (0.44) GPR119SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL2401819 0.82 LMNA (0.33) GPR119SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL1824613 0.82 LMNA (0.33) GPR119SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL1824608 0.82 LMNA (0.33) GPR119SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL1822534 0.77 LMNA (0.35) GPR119SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL1822223 0.77 LMNA (0.35) GPR119SMN1; SMN2HSP90AA1MAPTHTT

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