SCHEMBL13986987

SCHEMBL13986987

CC(C)(CO)NC(=O)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.53
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GSK3A P49840 1/20 0.41
DYRK1A Q13627 1/20 0.41
ROCK1 Q13464 2/20 0.39
ROCK2 O75116 1/20 0.39
CASP1 P29466 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4854637 0.88 GSK3B (0.55) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL1750449 0.81 GSK3B (0.61) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL13987007 0.79 GSK3B (0.46) GSK3BROCK1RAB9A
SCHEMBL4851367 0.78 GSK3B (0.61) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL5655589 0.78 GSK3B (0.50) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL4856282 0.77 GSK3B (0.69) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL13986950 0.76 GSK3B (0.59) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL13986939 0.76 GSK3B (0.59) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL4857434 0.76 GSK3B (0.59) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL13986993 0.76 GSK3B (0.64) GSK3BHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed