SCHEMBL13986946

SCHEMBL13986946

COc1ccc(CCNC(=O)c2cc(-c3ccncc3)n[nH]c2=O)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
GSK3B P49841 1/20 0.48
CNR2 P34972 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.47
PTPN7 P35236 1/20 0.47
DUSP3 P51452 1/20 0.47

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
SCHEMBL13986962 0.85 CYP1A2 (0.55) MAPTKDM4EHDAC3HDAC4HDAC1
SCHEMBL13986988 0.85 LMNA (0.59) MAPTGAAKDM4EHDAC3HDAC4
SCHEMBL13986961 0.84 GSK3B (0.55) MAPTGAAKDM4EHDAC3HDAC4
SCHEMBL13986959 0.83 MAPT (0.54) MAPTGAAGSK3BTP53
SCHEMBL13986958 0.82 LMNA (0.62) MAPTGAAGSK3BSMN1; SMN2LMNA
SCHEMBL13987003 0.82 GSK3B (0.52) MAPTGAAHDAC3HDAC4HDAC1
SCHEMBL13986963 0.81 GSK3B (0.56) MAPTGAAKDM4EHDAC3HDAC4
SCHEMBL13986970 0.81 GSK3B (0.53) MAPTGAAKDM4EHDAC3HDAC4
SCHEMBL13986979 0.80 MAPT (0.65) MAPTGAAKDM4EHDAC3HDAC4
SCHEMBL13986986 0.80 GSK3B (0.66) MAPTGAAKDM4EHDAC3HDAC4

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