SCHEMBL28400421

SCHEMBL28400421

O=[N+]([O-])C=C1NCCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NOX4 Q9NPH5 3/20 0.38
MAOB P27338 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
ENPP2 Q13822 1/20 0.34
GPR6 P46095 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSD11B1 P28845 1/20 0.33
DHFR P00374 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 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
SCHEMBL28400195 0.86 SMN1; SMN2 (0.39) SMN1; SMN2CHRNA1CHRNA3CHRNA7HSD11B1
SCHEMBL28888725 0.86 POLB (0.43) FBP1SMN1; SMN2CHRNA1CHRNA3CHRNA7
SCHEMBL28398857 0.83 SMN1; SMN2 (0.37) SMN1; SMN2CHRNA1CHRNA3CHRNA7HSD11B1
SCHEMBL9207922 0.82 SMN1; SMN2 (0.47) FBP1SMN1; SMN2CHRNA1CHRNA3CHRNA7
SCHEMBL28402262 0.82 SMN1; SMN2 (0.41) FBP1SMN1; SMN2CHRNA1CHRNA3CHRNA7
SCHEMBL28400518 0.82 SMN1; SMN2 (0.41) FBP1SMN1; SMN2CHRNA1CHRNA3CHRNA7
SCHEMBL28401068 0.80 SMN1; SMN2 (0.40) SMN1; SMN2CHRNA1CHRNA3CHRNA7PTGS1
SCHEMBL28132723 0.79 SMN1; SMN2 (0.63) FBP1SMN1; SMN2MAOBCHRNA1CHRNA3
SCHEMBL28396602 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CHRNA1CHRNA3CHRNA7MEN1
SCHEMBL28400163 0.78 MAPT (0.47) FBP1SMN1; SMN2CA2MEN1MAPT

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-111165505-A Use of eight-membered oxygen bridged heterocyclic compounds as bee selective insecticide synergists 华东理工大学 2020-05-19 CN disclosed