SCHEMBL4849100

SCHEMBL4849100

COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)[nH]n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.77
GSK3B P49841 1/20 0.67
TP53 P04637 2/20 0.58
HDAC1 Q13547 2/20 0.52
KDM1A O60341 1/20 0.52
RXFP1 Q9HBX9 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
THRB P10828 1/20 0.50
ACR P10323 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49

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
SCHEMBL5227468 0.88 MAPT (0.60) MAPTGSK3BTP53HDAC1KDM1A
SCHEMBL4854012 0.87 GSK3B (0.76) MAPTGSK3BTP53HDAC1KDM1A
SCHEMBL4849065 0.86 GSK3B (0.74) MAPTGSK3BTP53LMNA
SCHEMBL4854512 0.86 GSK3B (0.71) MAPTGSK3BTP53HDAC1LMNA
SCHEMBL4855760 0.85 GSK3B (0.67) MAPTGSK3BTP53HDAC1KDM1A
SCHEMBL4856002 0.85 GSK3B (0.70) MAPTGSK3BTP53HDAC1ALDH1A1
SCHEMBL4856682 0.85 GSK3B (0.69) MAPTGSK3BTP53LMNA
SCHEMBL4848903 0.84 GSK3B (0.68) MAPTGSK3BTP53HDAC1LMNA
SCHEMBL4848893 0.83 GSK3B (0.86) MAPTGSK3BTP53HDAC1LMNA
Trifluoroacetic Acid SCHEMBL5656445 0.82 GSK3B (0.55) MAPTGSK3BTP53HDAC1KDM1A

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 10 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 claimed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US claimed
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-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
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed