SCHEMBL13986986

SCHEMBL13986986

O=C(NCCc1ccc(F)cc1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.66
GAA P10253 1/20 0.62
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PARP1 P09874 2/20 0.52
MAPT P10636 5/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46

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
SCHEMBL13986963 0.90 GSK3B (0.56) GSK3BGAAKDM4ELMNAMAPK1
SCHEMBL13986961 0.89 GSK3B (0.55) GSK3BGAAKDM4ELMNAMAPK1
SCHEMBL13986979 0.89 MAPT (0.65) GSK3BGAAKDM4ELMNAMAPK1
SCHEMBL4856280 0.89 GSK3B (0.75) GSK3BGAAKDM4ELMNAMAPK1
SCHEMBL13986984 0.89 GSK3B (0.63) GSK3BGAAKDM4ELMNAMAPK1
SCHEMBL13986962 0.86 CYP1A2 (0.55) GSK3BKDM4EPARP1MAPTTP53
SCHEMBL13987015 0.85 KDM4E (0.56) GSK3BGAAKDM4ELMNAMAPT
SCHEMBL13986970 0.85 GSK3B (0.53) GSK3BGAAKDM4ELMNAMAPK1
SCHEMBL13986993 0.84 GSK3B (0.64) GSK3BGAAKDM4ELMNAMAPK1
SCHEMBL13986947 0.84 GSK3B (0.56) GSK3BGAAMAPK1PARP1MAPT

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