SCHEMBL13986934

SCHEMBL13986934

CC(NC(=O)c1cc(-c2ccncc2)n[nH]c1=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPK1 P28482 4/20 0.46
MAPK3 P27361 2/20 0.46
GSK3B P49841 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
ALPL P05186 2/20 0.43
CASP1 P29466 1/20 0.41
GAA P10253 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
IDH1 O75874 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13986931 0.86 ALDH1A1 (0.52) MEN1KMT2AMAPK1MAPK3GSK3B
SCHEMBL13986933 0.86 ALDH1A1 (0.52) MEN1KMT2AMAPK1MAPK3GSK3B
SCHEMBL13986977 0.86 ALDH1A1 (0.52) MEN1KMT2AMAPK1MAPK3GSK3B
SCHEMBL4856612 0.80 GSK3B (0.49) MEN1KMT2AMAPK1GSK3BALDH1A1
SCHEMBL13986994 0.80 MAPK1 (0.56) KMT2AMAPK1MAPK3GSK3BALDH1A1
SCHEMBL13986978 0.80 GSK3B (0.48) GSK3BMAPT
SCHEMBL13986992 0.79 ALDH1A1 (0.50) MEN1KMT2AMAPK1MAPK3GSK3B
SCHEMBL13986985 0.78 GSK3B (0.58) KMT2AMAPK1GSK3BALDH1A1MAPT
SCHEMBL13986956 0.78 GSK3B (0.48) KMT2AMAPK1GSK3BALDH1A1MAPT
SCHEMBL13986999 0.77 GSK3B (0.47) KMT2AGSK3BALDH1A1MAPTGAA

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