SCHEMBL28755352

SCHEMBL28755352

O=C(O)c1cccc(N2C(=O)CCC2=O)c1N1C(=O)C=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 0.45
HSP90AA1 P07900 1/20 0.45
CCR6 P51684 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MAPK1 P28482 1/20 0.39
ALOX15 P16050 1/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DDAH1 O94760 1/20 0.37
MGLL Q99685 3/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL4901236 0.94 TLR9 (0.49) TLR9ALDH1A1PKMHSP90AA1CCR6
SCHEMBL28343039 0.89 ALDH1A1 (0.56) TLR9ALDH1A1PKMHSP90AA1CCR6
SCHEMBL9262225 0.79 GAA (0.55) TLR9ALDH1A1PKMHSP90AA1CCR6
SCHEMBL15636976 0.78 ALDH1A1 (0.43) ALDH1A1PKMTDP1CA12CA1
SCHEMBL11564833 0.78 ALDH1A1 (0.43) ALDH1A1PKMTDP1CA12CA1
SCHEMBL5576207 0.77 PKM (0.40) TLR9ALDH1A1PKMHSP90AA1CCR6
SCHEMBL317656 0.76 TTR (0.44) ALDH1A1PKMATMCA12CA1
SCHEMBL28019596 0.74 MEN1 (0.37) TLR9ALDH1A1PKMHSP90AA1CCR6
SCHEMBL9125621 0.74 TLR9 (0.77) TLR9ALDH1A1PKMHSP90AA1CCR6
SCHEMBL183052 0.73 ALDH1A1 (0.71) TLR9ALDH1A1PKMHSP90AA1CCR6

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-108779465-B Oligonucleotides for reducing PD-L1 expression 豪夫迈·罗氏有限公司 2022-05-13 CN disclosed