SCHEMBL13986960

SCHEMBL13986960

O=C(NCCc1cccc(O)c1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.53
▸ MAPT P10636 6/20 0.47
▸ TP53 P04637 4/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPK3 P27361 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL13986984 0.89 GSK3B (0.63) GSK3BMAPTTP53RXFP1ROCK2
SCHEMBL13987003 0.89 GSK3B (0.52) GSK3BMAPTTP53RXFP1MAPK1
SCHEMBL13986963 0.88 GSK3B (0.56) GSK3BMAPTTP53RXFP1MAPK1
SCHEMBL13986947 0.86 GSK3B (0.56) GSK3BMAPTTP53RXFP1MAPK1
SCHEMBL13986959 0.86 MAPT (0.54) GSK3BMAPTTP53ROCK2ROCK1
SCHEMBL13986981 0.86 GSK3B (0.52) GSK3BMAPTTP53RXFP1ROCK2
SCHEMBL13986982 0.84 ROCK1 (0.52) GSK3BMAPTTP53RXFP1ROCK2
SCHEMBL13986970 0.83 GSK3B (0.53) GSK3BMAPTTP53MAPK1GAA
SCHEMBL13986979 0.83 MAPT (0.65) GSK3BMAPTTP53MAPK1GAA
SCHEMBL13986961 0.83 GSK3B (0.55) GSK3BMAPTTP53RXFP1MAPK1

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
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