SCHEMBL20032700

SCHEMBL20032700

FC(F)(F)c1ccc2ncc(-c3ccccc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PDGFRB P09619 1/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 1/20 0.55
TLR9 Q9NR96 1/20 0.53
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 1/20 0.48
DGAT1 O75907 1/20 0.47
KCNH2 Q12809 1/20 0.47
HPGD P15428 1/20 0.46
BCHE P06276 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL20032699 0.94 TLR9 (0.60) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL20033419 0.86 KIF11 (0.49) NPC1RAB9AALDH1A1MAPTTOP1
SCHEMBL21563928 0.86 TLR9 (0.49) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL1303359 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TLR9ALDH1A1
SCHEMBL30139976 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TLR9ALDH1A1
SCHEMBL18425686 0.81 ACP1 (0.50) NPC1RAB9ASMN1; SMN2PDGFRBALDH1A1
SCHEMBL14730878 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20033425 0.80 KIF11 (0.49) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL20032701 0.80 MEN1 (0.48) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL29194186 0.79 NPC1 (0.60) NPC1RAB9ASMN1; SMN2PDGFRBKDR

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