SCHEMBL4742872

SCHEMBL4742872

COC(=O)c1cncc(OCC(Cc2cn(C(=O)OC)c3ccccc23)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.51
HDAC4 P56524 13/20 0.51
HDAC1 Q13547 13/20 0.51
HDAC7 Q8WUI4 13/20 0.51
HDAC2 Q92769 13/20 0.51
HDAC10 Q969S8 13/20 0.51
HDAC11 Q96DB2 13/20 0.51
HDAC8 Q9BY41 13/20 0.51
HDAC6 Q9UBN7 13/20 0.51
HDAC9 Q9UKV0 13/20 0.51
HDAC5 Q9UQL6 13/20 0.51
L3MBTL1 Q9Y468 1/20 0.39
ADAM17 P78536 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 1/20 0.37
PDE10A Q9Y233 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
SCHEMBL4744855 0.97 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4744853 0.81 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4744851 0.81 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4788511 0.81 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4788516 0.81 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4742877 0.80 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21309885 0.78 L3MBTL1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20424963 0.78 L3MBTL1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4742805 0.77 GRM5 (0.40)
SCHEMBL4742802 0.77 GRM5 (0.40)

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-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 WO disclosed