SCHEMBL13986947

SCHEMBL13986947

O=C(NCCc1cccnc1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
PARP1 P09874 1/20 0.50
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
MAPT P10636 5/20 0.46
GAA P10253 2/20 0.46
MAPK3 P27361 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NAMPT P43490 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45

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
SCHEMBL4854591 0.89 GSK3B (0.61) GSK3BPARP1KMT2ANAMPT
SCHEMBL13986960 0.86 GSK3B (0.53) GSK3BPARP1HDAC2HDAC8HDAC6
SCHEMBL13987013 0.86 GSK3B (0.62) GSK3BPARP1HDAC2HDAC8HDAC6
SCHEMBL13986984 0.85 GSK3B (0.63) GSK3BPARP1HDAC2HDAC8HDAC6
SCHEMBL13987003 0.85 GSK3B (0.52) GSK3BPARP1HDAC2HDAC8HDAC6
SCHEMBL13986963 0.85 GSK3B (0.56) GSK3BPARP1HDAC2HDAC8HDAC6
SCHEMBL13986954 0.84 GSK3B (0.55) GSK3BHDAC2HDAC8HDAC6MAPT
SCHEMBL13986979 0.84 MAPT (0.65) GSK3BHDAC2HDAC8HDAC6MAPT
SCHEMBL13986986 0.84 GSK3B (0.66) GSK3BPARP1HDAC2HDAC8HDAC6
SCHEMBL13986961 0.84 GSK3B (0.55) GSK3BPARP1HDAC2HDAC8HDAC6

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