SCHEMBL2569032

SCHEMBL2569032

Cc1cccc(CN2CC=C(CCC(=O)N(O)C(CC(=O)NO)C3=CCN(Cc4cccc(C)c4)C3=O)C2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.58
HDAC1 Q13547 18/20 0.58
HDAC2 Q92769 18/20 0.58
HDAC6 Q9UBN7 18/20 0.58
HDAC11 Q96DB2 18/20 0.58
HDAC4 P56524 17/20 0.58
HDAC7 Q8WUI4 17/20 0.58
HDAC10 Q969S8 17/20 0.58
HDAC8 Q9BY41 17/20 0.58
HDAC9 Q9UKV0 17/20 0.58
HDAC5 Q9UQL6 17/20 0.58
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2567671 0.90 HDAC6 (0.54) HDAC3HDAC1HDAC2HDAC6HDAC11
SCHEMBL2570863 0.89 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC11
SCHEMBL2566167 0.89 HDAC1 (0.59) HDAC3HDAC1HDAC2HDAC6HDAC11
SCHEMBL2567670 0.85 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC11
SCHEMBL2569348 0.85 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC6HDAC11
SCHEMBL2569515 0.84 HDAC1 (0.55) HDAC3HDAC1HDAC2HDAC6HDAC11
SCHEMBL2566634 0.84 HDAC1 (0.56) HDAC3HDAC1HDAC2HDAC6HDAC11
SCHEMBL2566704 0.83 HDAC2 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC11
SCHEMBL2564789 0.82 HDAC3 (0.82) HDAC3HDAC1HDAC2HDAC6HDAC11
SCHEMBL2565416 0.82 HDAC1 (0.45) HDAC3HDAC1HDAC2HDAC6HDAC11

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
EP-1626961-B1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RES INST OF BIOSCIENCE (KR) 2011-11-02 EP disclosed