Fluoride

Fluoride

SCHEMBL28228786

CCC1(COc2ccccc2)OCCO1.F.N#CC#N

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
ADRA1D P25100 1/20 0.35
LTA4H P09960 2/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 4/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALOX15 P16050 1/20 0.33
KCNA3 P22001 1/20 0.32

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
SCHEMBL28008410 0.92 LTA4H (0.40) HTR1AADRA1DLTA4HLMNAALDH1A1
SCHEMBL9403915 0.86 LTA4H (0.51) HTR1ALTA4HSMN1; SMN2L3MBTL1
SCHEMBL28217425 0.80 LTA4H (0.40) HTR1AADRA1DLTA4HTDP1CHRNB2
SCHEMBL28217420 0.77 LTA4H (0.45) HTR1ALTA4HLMNAALDH1A1HTT
SCHEMBL28217422 0.76 LTA4H (0.45) HTR1ALTA4HLMNAALDH1A1HTT
SCHEMBL28217424 0.75 HTR1A (0.40) HTR1AADRA1DLTA4HLMNATDP1
SCHEMBL9838165 0.73 LTA4H (0.40) LTA4HALDH1A1TDP1L3MBTL1
SCHEMBL28217881 0.73 HRH3 (0.38) HTR1AADRA1DLMNATDP1MTNR1A
SCHEMBL13897218 0.72 HTR1A (0.41) HTR1AADRA1DLTA4HLMNAALDH1A1
SCHEMBL11399029 0.71 LTA4H (0.39) HTR1AADRA1DLTA4HLMNATDP1

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
CN-108294036-A A kind of composition pesticide containing metaflumizone and its application in pest control 上海生农生化制品股份有限公司 2018-07-20 CN disclosed