SCHEMBL31402215

SCHEMBL31402215

CC(C)(C)ONC(=O)Nc1ccccc1NC(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 9/20 0.52
▸ F10 P00742 1/20 0.51
▸ PPARD Q03181 2/20 0.49
▸ PPARG P37231 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ HDAC1 Q13547 5/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HPSE Q9Y251 1/20 0.45

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
SCHEMBL31402198 0.86 F10 (0.57) NR1H4F10PPARGPPARAHDAC1
SCHEMBL31635248 0.82 HDAC1 (0.55) NR1H4F10PPARDPPARGPPARA
SCHEMBL6120276 0.72 CA12 (0.54) MEN1KMT2AALDH1A1
SCHEMBL1435144 0.71 HDAC1 (0.54) F10HDAC1HDAC3HDAC6MEN1
SCHEMBL2411168 0.71 NR1H4 (0.55) NR1H4F10PPARDPPARGPPARA
SCHEMBL3821744 0.70 F10 (0.93) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL1064323 0.69 HDAC1 (0.53) NR1H4F10HDAC1MEN1KMT2A
SCHEMBL30944730 0.69 HDAC1 (0.53) NR1H4F10HDAC1MEN1KMT2A
SCHEMBL2732298 0.69 HDAC1 (0.53) NR1H4F10PPARAHDAC1HDAC3
SCHEMBL6671456 0.69 SMN1; SMN2 (0.57) KMT2AALDH1A1EPHX2

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-119306700-A DNMT1-HDAC double-target inhibitor and preparation method and application thereof 山东大学 2025-01-14 — — CN disclosed
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