SCHEMBL19784142

SCHEMBL19784142

O=c1cnn(-c2ccc3nn(-c4cccnc4)cc3n2)c(=O)n1S

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA3 P0DMS8 2/20 0.33
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
CYP11B2 P19099 1/20 0.32
MTOR P42345 2/20 0.32
HTT P42858 2/20 0.32
ALOX12 P18054 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM1 Q13255 1/20 0.31
RPTOR Q8N122 1/20 0.31
MLST8 Q9BVC4 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL21422261 0.87 CYP2A6 (0.37) TLR8CYP2A6ADORA3EP300KAT2B
SCHEMBL22172083 0.84 CYP11B2 (0.36) CYP11B2
SCHEMBL19783854 0.83 TLR8 (0.38) TLR8CYP2A6ADORA3EP300KAT2B
SCHEMBL19784106 0.83 TLR8 (0.38) TLR8CYP2A6ADORA3EP300KAT2B
SCHEMBL19783274 0.76 TLR8 (0.38) TLR8CYP2A6EP300KAT2BCYP11B2
SCHEMBL21422278 0.71 CYP11B2 (0.36) CYP11B2
SCHEMBL19783858 0.70 TLR8 (0.45) TLR8CYP2A6ADORA3EP300KAT2B
SCHEMBL21422259 0.70 ESR2 (0.39) TLR8CYP2A6ADORA3EP300KAT2B
SCHEMBL31457214 0.70 CYP2A6 (0.41) TLR8CYP2A6ADORA3HTTALOX12
SCHEMBL26683938 0.70 CYP2A6 (0.41) TLR8CYP2A6ADORA3HTTALOX12

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
EP-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 EP disclosed
WO-2018011111-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 WO disclosed