SCHEMBL30180461

SCHEMBL30180461

CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 18/20 1.00
HDAC3 O15379 15/20 1.00
HDAC1 Q13547 15/20 1.00
NCOR2 Q9Y618 4/20 1.00
RAB9A P51151 1/20 0.59
SENP5 Q96HI0 1/20 0.55
SENP2 Q9HC62 1/20 0.55
SENP1 Q9P0U3 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
SCHEMBL25003417 1.00 HDAC2 (1.00) HDAC2HDAC3HDAC1NCOR2RAB9A
SCHEMBL28970468 0.92 HDAC3 (0.85) HDAC2HDAC3HDAC1NCOR2RAB9A
SCHEMBL25003422 0.85 HDAC1 (1.00) HDAC2HDAC3HDAC1NCOR2
SCHEMBL6919078 0.83 HDAC1 (0.70) HDAC2HDAC3HDAC1NCOR2RAB9A
SCHEMBL28918328 0.81 HDAC3 (1.00) HDAC2HDAC3HDAC1NCOR2
SCHEMBL25003385 0.80 HDAC2 (0.66) HDAC2HDAC3HDAC1NCOR2RAB9A
SCHEMBL21435753 0.80 HDAC3 (1.00) HDAC2HDAC3HDAC1NCOR2
SCHEMBL12057508 0.78 HDAC2 (0.67) HDAC2HDAC3HDAC1NCOR2RAB9A
SCHEMBL25003401 0.77 HDAC3 (1.00) HDAC2HDAC3HDAC1NCOR2
SCHEMBL30180388 0.77 HDAC3 (1.00) HDAC2HDAC3HDAC1NCOR2

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-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