SCHEMBL8765157

SCHEMBL8765157

CNc1cc(C(F)(F)F)on1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
EGFR P00533 1/20 0.35
MAPK14 Q16539 2/20 0.34
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IDH2 P48735 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
LMNA P02545 2/20 0.31
GALR3 O60755 1/20 0.31

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
SCHEMBL9416889 0.83 EGFR (0.33) CNR1CNR2EGFRMAPK14CYP1A2
SCHEMBL23975356 0.82 EGFR (0.36) CNR1CNR2EGFRMAPK14SMN1; SMN2
SCHEMBL4717576 0.80 EGFR (0.51) EGFRMAPK14SMN1; SMN2TDP1NPC1
SCHEMBL9416888 0.75 EGFR (0.47) CNR1CNR2EGFRMAPK14SMN1; SMN2
SCHEMBL22535128 0.74 EGFR (0.39) EGFRMAPK14SMN1; SMN2TDP1NPC1
SCHEMBL9416804 0.74 MAPK14 (0.55) CNR1CNR2EGFRMAPK14NPC1
SCHEMBL9911981 0.73 HCAR2 (0.39) SMN1; SMN2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL9416864 0.72 CNR1 (0.52) CNR1CNR2EGFRMAPK14SMN1; SMN2
SCHEMBL21614039 0.71 MAPT (0.48) CYP1A2SMN1; SMN2CYP3A4TDP1MEN1
SCHEMBL9416828 0.71 EGFR (0.44) CNR1CNR2EGFRMAPK14SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375670-B1 Process for preparing 3-polyfluoroalkylisoxazolylamines SHIONOGI & CO (JP) 1997-08-06 EP disclosed
EP-0220947-B1 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO (JP) 1994-06-15 EP disclosed
EP-0375670-A2 Process for preparing 3-polyfluoroalkylisoxazolylamines SHIONOGI & CO., LTD. (JP) 1990-06-27 EP disclosed
US-4797492-A INTERMEDIATES FOR BACTERICIDES; HERBICIDES OR FUNGICIDES SHIONOGI & CO., LTD. (JP) 1989-01-10 US disclosed
EP-0220947-A2 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO., LTD. (JP) 1987-05-06 EP disclosed