SCHEMBL8525429

SCHEMBL8525429

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cncn2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
HSP90AA1 P07900 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TTK P33981 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK10 P53779 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
IDO1 P14902 1/20 0.33
F9 P00740 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
SCHEMBL8524139 0.89 SMN1; SMN2 (0.41) HSP90AA1MAPTHTTSMN1; SMN2TTK
SCHEMBL8487558 0.88 HSP90AA1 (0.41) NR1H4HSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8487594 0.88 SMN1; SMN2 (0.40) HSP90AA1MAPTHTTSMN1; SMN2MEN1
SCHEMBL8486767 0.87 NR1H4 (0.41) NR1H4HTTSMN1; SMN2
SCHEMBL8525752 0.87 NR1H4 (0.41) NR1H4HSP90AA1HTT
SCHEMBL8524135 0.86 SMN1; SMN2 (0.39) HSP90AA1MAPTHTTSMN1; SMN2MEN1
SCHEMBL8524250 0.85 LMNA (0.37) MAPTIDO1
SCHEMBL8524086 0.85 NR1H4 (0.40) NR1H4HTTSMN1; SMN2MAPK10
SCHEMBL8491830 0.85 NR1H4 (0.40) NR1H4MAPTHTTSMN1; SMN2MEN1
SCHEMBL8524453 0.85 SMN1; SMN2 (0.38) HSP90AA1MAPTHTTSMN1; SMN2MEN1

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