SCHEMBL25003663

SCHEMBL25003663

CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(O)ccc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 1.00
HDAC1 Q13547 20/20 1.00
HDAC2 Q92769 20/20 1.00
NCOR2 Q9Y618 4/20 0.78
HDAC4 P56524 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55

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
SCHEMBL25002625 0.89 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL25003550 0.89 HDAC2 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL25002549 0.89 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL30180388 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2
SCHEMBL25003401 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2
SCHEMBL25003402 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2
SCHEMBL25003415 0.84 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2
SCHEMBL28918467 0.83 HDAC3 (0.82) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL30141889 0.83 HDAC3 (0.82) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL25003662 0.83 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115703736-A Multi-target inhibitors targeting HDAC and NAD synthesis and uses thereof 中国海洋大学 2023-02-17 CN claimed
CN-115703736-B Multi-target inhibitor targeting HDAC and NAD synthesis and application thereof 中国海洋大学 2025-05-16 CN disclosed
CN-115703736-A Multi-target inhibitors targeting HDAC and NAD synthesis and uses thereof 中国海洋大学 2023-02-17 CN disclosed
WO-2023011416-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR 中国海洋大学 2023-02-09 WO disclosed