SCHEMBL8686392

SCHEMBL8686392

O=c1[nH]nnn1-c1ncccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
GAA P10253 1/20 0.43
HSD11B1 P28845 14/20 0.43
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RBP4 P02753 1/20 0.39

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
SCHEMBL5906193 0.81 MAPT (0.48) TRPV1MAPTHTT
SCHEMBL8687515 0.81 TRPC5 (0.38) EPHX2HTT
SCHEMBL8691683 0.78 NPSR1 (0.40) HSD11B1TRPV1
SCHEMBL8687317 0.78 HSD11B1 (0.35) HSD11B1TRPV1
SCHEMBL5905963 0.78 HCAR1 (0.47) MAPT
SCHEMBL18504320 0.77 MAPT (0.38) MAPTHTT
SCHEMBL15352384 0.77 NOTUM (0.43) MAPT
SCHEMBL8688652 0.76 OPRM1 (0.40) HTT
SCHEMBL8920650 0.76 KDM4E (0.35)
SCHEMBL8686428 0.75 OPRL1 (0.39) GAAMAPTRBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710278-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1998-01-20 US disclosed
US-5641727-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US disclosed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP disclosed