SCHEMBL29028359

SCHEMBL29028359

COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N)cc3)C2=O)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.73
▸ MEN1 O00255 9/20 0.73
▸ L3MBTL1 Q9Y468 5/20 0.65
▸ USP2 O75604 1/20 0.65
▸ MAPT P10636 7/20 0.61
▸ NPSR1 Q6W5P4 5/20 0.61
▸ ALDH1A1 P00352 5/20 0.60
▸ KDM4E B2RXH2 5/20 0.59
▸ POLB P06746 5/20 0.59
▸ BLM P54132 4/20 0.59
▸ PKM P14618 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ SAE1 Q9UBE0 1/20 0.59
▸ UBA2 Q9UBT2 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MAPK1 P28482 1/20 0.59

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
SCHEMBL29028351 0.93 MEN1 (0.73) KMT2AMEN1L3MBTL1USP2MAPT
SCHEMBL29028333 0.92 KMT2A (0.71) KMT2AMEN1L3MBTL1USP2MAPT
SCHEMBL29028527 0.91 MEN1 (0.71) KMT2AMEN1L3MBTL1USP2MAPT
SCHEMBL29028344 0.91 PTPN1 (0.72) KMT2AMEN1L3MBTL1USP2MAPT
SCHEMBL29028383 0.91 MEN1 (0.70) KMT2AMEN1L3MBTL1USP2MAPT
SCHEMBL29028387 0.90 KMT2A (0.69) KMT2AMEN1L3MBTL1USP2MAPT
SCHEMBL29028307 0.90 KMT2A (0.69) KMT2AMEN1L3MBTL1USP2MAPT
SCHEMBL29028338 0.89 KMT2A (0.68) KMT2AMEN1L3MBTL1USP2MAPT
SCHEMBL29028291 0.89 MEN1 (0.67) KMT2AMEN1L3MBTL1USP2MAPT
SCHEMBL29028399 0.86 MEN1 (0.72) KMT2AMEN1L3MBTL1USP2MAPT

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-116354901-B Thiazolidinedione compound and preparation method and application thereof 郑州大学 2024-04-26 — — CN disclosed
CN-116354901-A Thiazolidinedione compound and preparation method and application thereof 郑州大学 2023-06-30 — — CN disclosed
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