SCHEMBL25032374

SCHEMBL25032374

CC(C)(C)OC(=O)Nc1ccc(S(C)(=O)=O)c2ccn(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.39
▸ PIK3C3 Q8NEB9 2/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ PPARG P37231 8/20 0.37
▸ PPARD Q03181 8/20 0.37
▸ PPARA Q07869 7/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL31270507 1.00 HTR6 (0.39) HTR6PIK3C3CA12CA1CA7
SCHEMBL22111128 0.84 PPARG (0.45) HTR6PPARGPPARDPPARAMEN1
SCHEMBL29783676 0.84 PPARG (0.45) HTR6PPARGPPARDPPARAMEN1
SCHEMBL29783668 0.79 HTR6 (0.53) HTR6PPARGPPARDPPARAHDAC3
SCHEMBL20742940 0.79 HTR6 (0.53) HTR6PPARGPPARDPPARAHDAC3
SCHEMBL29212344 0.76 HTR6 (0.40) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL30184592 0.74 HTR6 (0.44) HTR6MEN1KMT2A
SCHEMBL25032365 0.74 HTR6 (0.44) HTR6MEN1KMT2A
SCHEMBL29212327 0.73 HTR6 (0.43) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL31270117 0.73 HTR6 (0.35) HTR6PIK3C3BCHE

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-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 — — CN disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
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