SCHEMBL29091111

SCHEMBL29091111

CCCCc1cccc2nc(N)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.48
MASP2 O00187 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NUDT1 P36639 1/20 0.40
KMT2A Q03164 1/20 0.40
AOC3 Q16853 1/20 0.40
PARP1 P09874 1/20 0.39
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL15553342 0.95 TLR8 (0.49) TLR8
SCHEMBL27681188 0.94 TLR8 (0.50) TLR8ALDH1A1
SCHEMBL14365376 0.83 MEN1 (0.44) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL629042 0.81 TLR8 (0.41) TLR8PARP1
SCHEMBL27995176 0.79 TLR8 (0.38) TLR8MASP2MEN1ALDH1A1NUDT1
SCHEMBL6694499 0.78 MASP2 (0.46) TLR8MASP2MEN1ALDH1A1NUDT1
SCHEMBL3857633 0.78 PARP1 (0.49) TLR8PARP1
SCHEMBL28988341 0.77 PARP1 (0.48) TLR8PARP1
SCHEMBL29037270 0.77 TLR8 (0.45) TLR8
SCHEMBL16097303 0.77 PARP1 (0.48) TLR8PARP1

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-114989096-B Thioazole compound and preparation method and application thereof 赣南师范大学 2023-10-24 CN disclosed