SCHEMBL8768478

SCHEMBL8768478

NNC(=O)On1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.56
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL10299926 0.83 SIRT2 (0.58) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2458394 0.83 SIRT2 (0.58) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL39113 0.83 SIRT2 (0.61) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29773981 0.83 SIRT2 (0.61) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1562975 0.83 SIRT2 (0.61) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL30140830 0.81 SIRT2 (0.60) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL26598951 0.81 SIRT2 (0.60) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL239516 0.81 SIRT2 (0.60) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4757056 0.81 HDAC3 (0.62) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11197146 0.80 SIRT2 (0.52) SIRT2HDAC3HDAC4HDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-0518655-B1 Solid phase peptide synthesis ZENECA LTD (GB) 1997-09-10 EP disclosed