SCHEMBL13986972

SCHEMBL13986972

COc1ccc2c(CCNC(=O)c3cc(-c4ccncc4)n[nH]c3=O)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.56
MTNR1B P49286 1/20 0.56
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
CDK4 P11802 3/20 0.51
CCND1 P24385 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.49
ACHE P22303 1/20 0.49
TRPV1 Q8NER1 3/20 0.49
LMNA P02545 1/20 0.48
GSK3B P49841 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 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
SCHEMBL13987008 0.93 KMT2A (0.59) MTNR1AMTNR1BHPGDKMT2AMEN1
SCHEMBL13986973 0.86 SIRT1 (0.56) CDK4CCND1KMT2AMEN1NPC1
SCHEMBL13986969 0.83 GAA (0.57) MTNR1AMTNR1BHPGDMAPK1MAPT
SCHEMBL13986962 0.82 CYP1A2 (0.55) MAPTKMT2AGSK3B
SCHEMBL13986980 0.81 SNCA (0.60) MTNR1AMTNR1BHPGDMAPTGSK3B
SCHEMBL13986959 0.80 MAPT (0.54) MAPTGAAGSK3B
SCHEMBL14374752 0.80 SNCA (0.49) HPGDMAPTGAATRPV1GSK3B
SCHEMBL13986958 0.79 LMNA (0.62) MTNR1AMTNR1BHPGDMAPTGAA
SCHEMBL13986950 0.77 GSK3B (0.59) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL13986988 0.77 LMNA (0.59) MAPTGAAKMT2AMEN1POLB

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