SCHEMBL13986983

SCHEMBL13986983

O=C(NCCc1ccccc1F)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.64
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.48
P2RX7 Q99572 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
PARP1 P09874 2/20 0.47
LMNA P02545 1/20 0.44
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
HIF1A Q16665 4/20 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

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
SCHEMBL13986976 0.88 P2RX7 (0.63) GSK3BALDH1A1KMT2AP2RX7MEN1
SCHEMBL13986957 0.88 GSK3B (0.56) GSK3BKMT2AP2RX7POLBGAA
SCHEMBL13986958 0.85 LMNA (0.62) GSK3BALDH1A1SMN1; SMN2KMT2AP2RX7
SCHEMBL13986986 0.83 GSK3B (0.66) GSK3BALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13986984 0.82 GSK3B (0.63) GSK3BALDH1A1SMN1; SMN2GAAPARP1
SCHEMBL13986993 0.82 GSK3B (0.64) GSK3BGAALMNAHDAC3HDAC4
SCHEMBL13986948 0.82 GSK3B (0.54) GSK3BALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13986973 0.82 SIRT1 (0.56) GSK3BSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL4851138 0.81 GSK3B (0.58) GSK3BALDH1A1KMT2AP2RX7MEN1
SCHEMBL13986954 0.81 GSK3B (0.55) GSK3BALDH1A1SMN1; SMN2NPC1GAA

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