SCHEMBL2568141

SCHEMBL2568141

O=C(NO)C(C1CCN(CCc2ccccc2)C1=O)N(O)C(=O)CC1CCN(CCc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.46
HDAC6 Q9UBN7 7/20 0.46
HDAC8 Q9BY41 6/20 0.46
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
ACE P12821 3/20 0.38
OPRM1 P35372 3/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34

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
SCHEMBL2563898 0.79 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL2568143 0.79 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL2571159 0.73 HDAC1 (0.49) HDAC1HDAC6HDAC8OPRM1L3MBTL1
SCHEMBL2569444 0.73 HDAC3 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL3288909 0.72 HDAC1 (0.51) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL17144454 0.71 HDAC1 (0.50) HDAC1HDAC6HDAC8ACEOPRM1
SCHEMBL14177604 0.69 HSD11B1 (0.55) HDAC1HDAC6HDAC8OPRM1SIGMAR1
SCHEMBL2565333 0.69 ACE (0.49) HDAC1HDAC6HDAC8ACEHPGD
SCHEMBL17144562 0.68 HDAC1 (0.47) HDAC1HDAC6HDAC8OPRM1SIGMAR1
SCHEMBL4260666 0.68 HDAC1 (0.45) HDAC1HDAC6HDAC8OPRM1SIGMAR1

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