SCHEMBL13986936

SCHEMBL13986936

O=C(NC1CCC(O)CC1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.51
GSK3B P49841 2/20 0.50
CSNK2A2 P19784 2/20 0.48
CSNK2A1 P68400 2/20 0.48
PARP1 P09874 1/20 0.44
ROCK2 O75116 1/20 0.43
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
CD38 P28907 2/20 0.41
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

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
SCHEMBL5232508 0.95 MAPK8 (0.55) MAPK8GSK3BCSNK2A2CSNK2A1PARP1
SCHEMBL5233639 0.91 GSK3B (0.52) MAPK8GSK3BCSNK2A1PARP1ROCK2
SCHEMBL5236116 0.91 GSK3B (0.52) MAPK8GSK3BCSNK2A1PARP1ROCK2
SCHEMBL13986968 0.90 MAPK8 (0.50) MAPK8GSK3BCSNK2A2CSNK2A1ROCK2
SCHEMBL4848283 0.89 GSK3B (0.51) MAPK8GSK3BCSNK2A1PARP1ROCK2
SCHEMBL13986942 0.85 GSK3B (0.48) MAPK8GSK3BROCK2KDM4EALDH1A1
SCHEMBL4854577 0.83 GSK3B (0.49) MAPK8GSK3BROCK2MLLT3MLLT1
SCHEMBL13986935 0.80 SIGMAR1 (0.56) ROCK2POLBDYRK1A
SCHEMBL4853516 0.80 ALDH1A1 (0.52) GSK3BKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4852930 0.79 USP30 (0.58) PARP1HDAC4KDM4EMEN1ALDH1A1

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