SCHEMBL29755384

SCHEMBL29755384

[N-]=[N+]=Nc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.44
IDO1 P14902 2/20 0.38
HTR1A P08908 2/20 0.37
MPL P40238 2/20 0.34
APP P05067 1/20 0.33
HSD11B1 P28845 1/20 0.33
GAA P10253 1/20 0.33
PTPN5 P54829 1/20 0.32
DAO P14920 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
SCHEMBL18321910 1.00 PDE2A (0.44) PDE2AIDO1HTR1AMPLAPP
SCHEMBL26915320 0.85 PDE2A (0.42) PDE2AIDO1HTR1AMPLPTPN5
SCHEMBL18321887 0.84 PDE2A (0.54) PDE2AHTR1ADAO
SCHEMBL30965874 0.84 PDE2A (0.54) PDE2AHTR1ADAO
SCHEMBL28745430 0.81 PDE2A (0.54) PDE2AHTR1APTPN5
SCHEMBL26915295 0.80 PDE2A (0.50) PDE2AHTR1A
SCHEMBL4634945 0.78 PDE2A (0.44) PDE2AIDO1MPLAPPGAA
SCHEMBL4634946 0.78 PDE2A (0.44) PDE2AIDO1MPLAPPGAA
SCHEMBL28770910 0.78 PDE2A (0.50) PDE2AHTR1APTPN5
SCHEMBL17141521 0.76 PDE2A (0.41) PDE2AHTR1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181067-A Arylpyrazole compound and pest control agent 日本曹达株式会社 2022-10-14 CN disclosed
CN-108430976-B Arylpyrazole compound and pest control agent 日本曹达株式会社 2022-07-05 CN disclosed