SCHEMBL20032699

SCHEMBL20032699

FC(F)(F)c1ccc2nc(-c3ccccc3)cnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ PDGFRB P09619 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ TOP1 P11387 1/20 0.50
▸ NPBWR1 P48145 1/20 0.49
▸ MET P08581 2/20 0.48
▸ DGAT1 O75907 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ BCHE P06276 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PARP1 P09874 1/20 0.44

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
SCHEMBL20032700 0.94 NPC1 (0.55) TLR9SMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL21563928 0.89 TLR9 (0.49) TLR9SMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL20033425 0.86 KIF11 (0.49) TLR9SMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL30139976 0.82 NPC1 (0.62) TLR9SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1303359 0.82 NPC1 (0.62) TLR9SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14730878 0.81 NPC1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL20033419 0.80 KIF11 (0.49) NPC1RAB9AALDH1A1MAPTTOP1
SCHEMBL20032698 0.80 MEN1 (0.48) TLR9SMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL29102295 0.79 TLR9 (0.66) TLR9SMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL11987287 0.78 NPC1 (0.50) TLR9SMN1; SMN2NPC1RAB9AKDR

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
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 — — US disclosed
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