SCHEMBL19783288

SCHEMBL19783288

CN1C(O)N(CC(F)(F)F)C(=O)N1c1ccc2nn(-c3cccnc3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
MAT2A P31153 3/20 0.34
P2RX7 Q99572 2/20 0.33
ESR2 Q92731 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
DGAT1 O75907 1/20 0.32
CYP11B2 P19099 1/20 0.31
PTGS2 P35354 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL19783296 0.86 ALDH1A1 (0.38) TLR8ESR2ADORA3
SCHEMBL21422303 0.85 TLR8 (0.39) TLR8MAT2AP2RX7ESR2CYP11B2
SCHEMBL22172057 0.81 ALDH1A1 (0.34) TLR8MAT2AP2RX7
SCHEMBL19783295 0.76 TLR8 (0.39) TLR8MAT2AESR2IRAK4DGAT1
SCHEMBL21422263 0.76 TLR8 (0.37) TLR8MAT2AESR2IRAK4DGAT1
SCHEMBL19783867 0.72 CYP11B2 (0.37) TLR8MAT2AESR2IRAK4DGAT1
SCHEMBL19783865 0.71 TLR8 (0.39) TLR8MAT2AP2RX7CYP11B2
SCHEMBL19783990 0.69 TLR8 (0.44) TLR8MAT2AESR2CYP11B2PTGS2
SCHEMBL19783856 0.68 ESR2 (0.41) TLR8MAT2AESR2ADORA3
SCHEMBL17811752 0.68 MAT2A (0.39) TLR8MAT2AESR2IRAK4CYP11B2

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
WO-2018011111-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 WO disclosed