SCHEMBL13986958

SCHEMBL13986958

COc1ccccc1CCNC(=O)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
PTPN7 P35236 1/20 0.62
DUSP3 P51452 1/20 0.62
GSK3B P49841 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PARP1 P09874 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
P2RX7 Q99572 1/20 0.46

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
SCHEMBL5229513 0.90 GSK3B (0.66) LMNAPTPN7DUSP3GSK3BMEN1
SCHEMBL13986988 0.88 LMNA (0.59) LMNAPTPN7DUSP3GSK3BMEN1
SCHEMBL13986957 0.87 GSK3B (0.56) LMNAPTPN7DUSP3GSK3BKMT2A
SCHEMBL13986976 0.86 P2RX7 (0.63) LMNAPTPN7DUSP3GSK3BMEN1
SCHEMBL13986983 0.85 GSK3B (0.64) LMNAPTPN7DUSP3GSK3BMEN1
Trifluoroacetic Acid SCHEMBL5660802 0.84 GSK3B (0.61) LMNAPTPN7DUSP3GSK3BKMT2A
SCHEMBL10063248 0.83 LMNA (0.56) LMNAPTPN7DUSP3MEN1KMT2A
SCHEMBL13986950 0.82 GSK3B (0.59) GSK3BMEN1KMT2ASMN1; SMN2
SCHEMBL13986962 0.82 CYP1A2 (0.55) GSK3BKMT2APARP1MAPTALDH1A1
SCHEMBL13986946 0.82 MAPT (0.52) LMNAPTPN7DUSP3GSK3BMAPT

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