SCHEMBL31402198

SCHEMBL31402198

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.57
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ HDAC1 Q13547 5/20 0.51
▸ HDAC3 O15379 3/20 0.51
▸ HDAC2 Q92769 3/20 0.51
▸ HDAC4 P56524 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ PPARG P37231 2/20 0.48
▸ NR1H4 Q96RI1 2/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ EPHA2 P29317 1/20 0.47
▸ NPC1 O15118 3/20 0.47

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
SCHEMBL31402215 0.86 NR1H4 (0.52) F10KMT2AMEN1HDAC1HDAC3
SCHEMBL3662421 0.80 F10 (0.53) F10KMT2AMEN1HDAC1L3MBTL1
SCHEMBL6120276 0.80 CA12 (0.54) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL6119612 0.78 SRD5A2 (0.48) KMT2AMEN1NR1H4ALDH1A1SMN1; SMN2
SCHEMBL19501531 0.76 SIRT1 (0.64) KMT2AMEN1HDAC1HDAC3HDAC2
SCHEMBL16583906 0.75 RAB9A (0.70) F10KMT2AMEN1HDAC1HDAC8
SCHEMBL3821744 0.74 F10 (0.93) F10KMT2AMEN1HDAC1HDAC3
SCHEMBL6671456 0.74 SMN1; SMN2 (0.57) KMT2AL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL21051097 0.73 POLB (0.55) KMT2AHDAC1HDAC3HDAC2HDAC7
SCHEMBL19500918 0.73 F10 (0.77) F10KMT2AMEN1HDAC1HDAC3

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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