SCHEMBL13986964

SCHEMBL13986964

O=C(NCCOc1ccccc1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
TSHR P16473 1/20 0.56
GSK3B P49841 1/20 0.54
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
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
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 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
SCHEMBL13987010 0.86 GSK3B (0.48) MAPK1TSHRGSK3BHDAC3HDAC4
SCHEMBL13986997 0.86 GSK3B (0.58) MAPK1TSHRGSK3BHDAC3HDAC4
SCHEMBL13986950 0.85 GSK3B (0.59) GSK3BNPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL13987011 0.83 GSK3B (0.51) MAPK1GSK3BRAB9AHPGDHDAC3
SCHEMBL13986949 0.83 GSK3B (0.56) MAPK1GSK3BHPGDHDAC3HDAC4
SCHEMBL13986954 0.82 GSK3B (0.55) MAPK1TSHRGSK3BNPC1SMN1; SMN2
SCHEMBL4853003 0.81 GSK3B (0.65) MAPK1TSHRGSK3BHPGDALDH1A1
SCHEMBL13986948 0.81 GSK3B (0.54) MAPK1GSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL4851367 0.81 GSK3B (0.61) MAPK1GSK3BHDAC3HDAC4HDAC1
SCHEMBL13986993 0.81 GSK3B (0.64) MAPK1GSK3BHDAC3HDAC4HDAC1

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