SCHEMBL8765373

SCHEMBL8765373

O=C(Nc1cc(C(F)(F)F)on1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.48
CNR2 P34972 5/20 0.48
EGFR P00533 1/20 0.44
MAPK14 Q16539 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
FLT3 P36888 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9416817 0.86 CNR1 (0.46) CNR1CNR2EGFRMAPK14SMN1; SMN2
SCHEMBL9416864 0.86 CNR1 (0.52) CNR1CNR2EGFRMAPK14SMN1; SMN2
SCHEMBL9416888 0.82 EGFR (0.47) CNR1CNR2EGFRMAPK14SMN1; SMN2
SCHEMBL9416828 0.78 EGFR (0.44) CNR1CNR2EGFRMAPK14SMN1; SMN2
SCHEMBL4895893 0.76 NPC1 (0.61) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL13055933 0.72 P2RX1 (0.55) SMN1; SMN2TDP1NPC1RAB9AMEN1
SCHEMBL4903102 0.72 RAF1 (0.48) CNR1CNR2MAPK14NPC1RAB9A
SCHEMBL19879204 0.71 P2RX1 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9891521 0.71 EGFR (0.64) CNR1CNR2EGFRMAPK14SMN1; SMN2
SCHEMBL8765157 0.71 CNR1 (0.35) 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