SCHEMBL5584016

SCHEMBL5584016

CCC(=O)Nc1sc(Cc2ccc(C(=O)Nc3ccccc3N)cc2)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.49
HDAC3 O15379 8/20 0.49
HDAC2 Q92769 8/20 0.49
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
NCOR2 Q9Y618 3/20 0.47
GRIN2C Q14957 1/20 0.47
NCOR1 O75376 2/20 0.47
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL211517 0.92 KDM4E (0.52) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL211203 0.85 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1063144 0.82 ALDH1A1 (0.53) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2759508 0.79 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL211600 0.78 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2734094 0.77 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2759524 0.76 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL210451 0.75 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1064188 0.74 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL6077129 0.73 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC4HDAC7

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
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed