SCHEMBL4848960

SCHEMBL4848960

Cc1nccc(-c2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]n2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
LMNA P02545 2/20 0.48
PARP1 P09874 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CNR2 P34972 5/20 0.46
AKT3 Q9Y243 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SPR P35270 1/20 0.45
EGFR P00533 1/20 0.44
CDK2 P24941 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL13986986 0.81 GSK3B (0.66) GSK3BLMNAPARP1KDM4EMAPK1
SCHEMBL4854304 0.80 GSK3B (0.58) GSK3BLMNATDP1ALDH1A1
SCHEMBL5231389 0.75 SORT1 (0.40) GSK3BKDM4EMAPK1GAA
SCHEMBL13987029 0.73 GSK3B (0.65) GSK3BPARP1CNR2AKT3
SCHEMBL4856142 0.72 NPC1 (0.46) GSK3BLMNAKDM4EALDH1A1NPC1
SCHEMBL13987047 0.71 GSK3B (0.50) GSK3BLMNAMAPK1AKT3GAA
SCHEMBL13986963 0.71 GSK3B (0.56) GSK3BLMNAPARP1KDM4EMAPK1
SCHEMBL13986961 0.70 GSK3B (0.55) GSK3BLMNAPARP1KDM4EMAPK1
SCHEMBL13986979 0.70 MAPT (0.65) GSK3BLMNAKDM4EMAPK1TDP1
SCHEMBL13986984 0.70 GSK3B (0.63) GSK3BLMNAPARP1KDM4EMAPK1

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 5 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-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