SCHEMBL13986948

SCHEMBL13986948

O=C(NCCc1ccccn1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
KDM4E B2RXH2 4/20 0.52
HPGD P15428 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2A1 P68400 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
PARP1 P09874 1/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 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
SCHEMBL4856719 0.89 GSK3B (0.61) GSK3BKDM4EHPGDSMN1; SMN2POLB
SCHEMBL13986976 0.83 P2RX7 (0.63) GSK3BKDM4EHPGDPARP1POLB
SCHEMBL13986957 0.82 GSK3B (0.56) GSK3BKDM4EPARP1POLBLMNA
SCHEMBL13986983 0.82 GSK3B (0.64) GSK3BSMN1; SMN2PARP1POLBLMNA
SCHEMBL13986954 0.82 GSK3B (0.55) GSK3BHPGDSMN1; SMN2NPSR1MAPT
SCHEMBL13986975 0.81 GSK3B (0.54) GSK3BSMN1; SMN2POLBLMNAMAPT
SCHEMBL13986947 0.81 GSK3B (0.56) GSK3BSMN1; SMN2PARP1MAPTMEN1
SCHEMBL13986964 0.81 MAPK1 (0.58) GSK3BHPGDSMN1; SMN2NPSR1MEN1
SCHEMBL4851367 0.81 GSK3B (0.61) GSK3BKDM4EPOLBLMNAMAPT
SCHEMBL13986993 0.81 GSK3B (0.64) GSK3BKDM4ELMNAMAPTHDAC3

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