SCHEMBL29028383

SCHEMBL29028383

COC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.70
▸ KMT2A Q03164 7/20 0.70
▸ L3MBTL1 Q9Y468 4/20 0.63
▸ USP2 O75604 1/20 0.63
▸ PTPN1 P18031 1/20 0.61
▸ ACP1 P24666 1/20 0.61
▸ NPSR1 Q6W5P4 5/20 0.60
▸ MAPT P10636 5/20 0.60
▸ PTPN7 P35236 2/20 0.59
▸ ALDH1A1 P00352 3/20 0.58
▸ KDM4E B2RXH2 5/20 0.57
▸ POLB P06746 3/20 0.57
▸ BLM P54132 2/20 0.57
▸ KDR P35968 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL29028344 0.93 PTPN1 (0.72) MEN1KMT2AL3MBTL1USP2PTPN1
SCHEMBL29028351 0.91 MEN1 (0.73) MEN1KMT2AL3MBTL1USP2PTPN1
SCHEMBL29028359 0.91 KMT2A (0.73) MEN1KMT2AL3MBTL1USP2PTPN1
SCHEMBL29028333 0.90 KMT2A (0.71) MEN1KMT2AL3MBTL1USP2PTPN1
SCHEMBL29028387 0.88 KMT2A (0.69) MEN1KMT2AL3MBTL1USP2PTPN1
SCHEMBL29028307 0.88 KMT2A (0.69) MEN1KMT2AL3MBTL1USP2PTPN1
SCHEMBL29028338 0.88 KMT2A (0.68) MEN1KMT2AL3MBTL1USP2PTPN1
SCHEMBL29028291 0.87 MEN1 (0.67) MEN1KMT2AL3MBTL1USP2PTPN1
SCHEMBL29028399 0.85 MEN1 (0.72) MEN1KMT2AL3MBTL1USP2PTPN1
SCHEMBL29028390 0.85 MEN1 (0.72) MEN1KMT2AL3MBTL1USP2PTPN1

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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