SCHEMBL16600233

SCHEMBL16600233

O=C(O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.65
HDAC3 O15379 3/20 0.65
HDAC4 P56524 3/20 0.65
HDAC1 Q13547 3/20 0.65
HDAC7 Q8WUI4 3/20 0.65
HDAC2 Q92769 3/20 0.65
HDAC10 Q969S8 3/20 0.65
HDAC11 Q96DB2 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC9 Q9UKV0 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65

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
SCHEMBL19746141 0.92 HDAC8 (0.66) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL16599867 0.90 HDAC8 (0.75) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL16599868 0.90 HDAC8 (0.75) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL16599690 0.89 HDAC3 (0.60) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL16599696 0.89 HDAC3 (0.60) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL16599842 0.88 HDAC8 (0.75) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL16599674 0.86 HDAC8 (0.67) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL16599913 0.85 HDAC3 (0.62) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL16599912 0.85 HDAC3 (0.62) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL16600137 0.85 ITGB2 (0.66) HDAC8HDAC3HDAC4HDAC1HDAC7

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
WO-2015048306-A1 NOVEL AGENTS TARGETING CYP51 THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-02 WO disclosed