SCHEMBL13986970

SCHEMBL13986970

O=C(NCCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
MAPT P10636 5/20 0.51
TP53 P04637 2/20 0.51
GAA P10253 2/20 0.48
PARP1 P09874 1/20 0.47
P2RX7 Q99572 2/20 0.46
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
HDAC5 Q9UQL6 1/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL13986979 0.89 MAPT (0.65) GSK3BMAPTTP53GAAHDAC3
SCHEMBL4847300 0.89 GSK3B (0.60) GSK3BMAPTP2RX7MAPK1
SCHEMBL13986963 0.86 GSK3B (0.56) GSK3BMAPTTP53GAAPARP1
SCHEMBL13986961 0.85 GSK3B (0.55) GSK3BMAPTTP53GAAPARP1
SCHEMBL13986986 0.85 GSK3B (0.66) GSK3BMAPTTP53GAAPARP1
SCHEMBL13986976 0.84 P2RX7 (0.63) GSK3BMAPTGAAPARP1P2RX7
SCHEMBL4851138 0.83 GSK3B (0.58) GSK3BMAPTTP53PARP1P2RX7
SCHEMBL13986960 0.83 GSK3B (0.53) GSK3BMAPTTP53GAAPARP1
SCHEMBL13986962 0.82 CYP1A2 (0.55) GSK3BMAPTTP53PARP1HDAC3
SCHEMBL13987003 0.82 GSK3B (0.52) GSK3BMAPTTP53GAAPARP1

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