SCHEMBL28964715

SCHEMBL28964715

COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)C(NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL28964714 1.00 PTGS2 (0.39) PTGS2MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL28951954 0.94 MAPT (0.40) PTGS2MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL28951951 0.94 MAPT (0.40) PTGS2MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL28952164 0.93 SUV39H2 (0.40) PTGS2MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28952165 0.93 SUV39H2 (0.40) PTGS2MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28952136 0.92 KDM4E (0.42) PTGS2MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL28952133 0.92 KDM4E (0.42) PTGS2MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL30275987 0.88 CTSS (0.40) PTGS2MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL28951969 0.88 MAPT (0.39) PTGS2MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28951966 0.88 MAPT (0.39) PTGS2MAPTSMN1; SMN2ALDH1A1KDM4E

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
CN-115703755-B 2H-benzopyran-2-one derivatives and uses thereof 成都赜灵生物医药科技有限公司 2024-07-02 CN disclosed
CN-115703755-A 2H-benzopyran-2-one derivatives and uses thereof 成都赜灵生物医药科技有限公司 2023-02-17 CN disclosed