SCHEMBL3290596

SCHEMBL3290596

O=C(CCC1CCN(CCc2cccs2)C1=O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.42
HDAC6 Q9UBN7 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
HDAC8 Q9BY41 3/20 0.36
POLB P06746 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL2566024 0.75 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC11HDAC3
SCHEMBL3318689 0.73 HDAC1 (0.52) HDAC1HDAC6HRH3HDAC8HDAC11
SCHEMBL2566848 0.73 HDAC3 (0.69) HDAC1HDAC6HDAC8HDAC11HDAC3
SCHEMBL2566578 0.73 HDAC1 (0.55) HDAC1HDAC6HDAC8HDAC11HDAC3
SCHEMBL12999350 0.71 HDAC1 (0.54) HDAC1HDAC6HDAC8HDAC11HDAC3
SCHEMBL2563898 0.69 HDAC1 (0.56) HDAC1HDAC6HPGDHDAC8HDAC11
SCHEMBL22570479 0.69 USP2 (0.58) HDAC1HDAC6ALDH1A1MAPTHDAC8
SCHEMBL28789200 0.67 HDAC1 (0.63) HDAC1HDAC6ALDH1A1HDAC8POLB
SCHEMBL25246959 0.64 HRH3 (0.39) KMT2AMEN1HRH3ALDH1A1MAPT
SCHEMBL26097971 0.64 OPRM1 (0.49) KMT2AMEN1HPGDHRH3ALDH1A1

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