SCHEMBL3318689

SCHEMBL3318689

O=C(CCC1CCN(CCCc2ccc(Cl)cc2)C1=O)NO

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.52
HDAC6 Q9UBN7 10/20 0.52
HDAC3 O15379 9/20 0.52
HDAC2 Q92769 9/20 0.52
HDAC4 P56524 8/20 0.52
HDAC7 Q8WUI4 8/20 0.52
HDAC10 Q969S8 8/20 0.52
HDAC11 Q96DB2 8/20 0.52
HDAC8 Q9BY41 8/20 0.52
HDAC9 Q9UKV0 8/20 0.52
HDAC5 Q9UQL6 8/20 0.52
HRH3 Q9Y5N1 2/20 0.43
NAAA Q02083 1/20 0.38

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
SCHEMBL12999350 0.82 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2566024 0.75 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL3290596 0.73 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2568942 0.73 HDAC1 (0.70) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL22190399 0.72 HDAC1 (0.90) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL22849745 0.70 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2563898 0.69 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL9665149 0.69 HDAC1 (0.97) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL14177653 0.66 KMT2A (0.44)
SCHEMBL6386199 0.66 HDAC1 (0.88) HDAC1HDAC6HDAC3HDAC2HDAC4

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-7723376-B2 2-oxo-heterocyclic compounds and pharmaceutical compositions KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-05-25 US disclosed