SCHEMBL14374765

SCHEMBL14374765

Cc1cnccc1-c1cc(C(=O)NCc2ccc(CI)cc2)c(=O)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.46
▸ ROCK2 O75116 1/20 0.45
▸ GRK2 P25098 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ GAA P10253 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ WDR5 P61964 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ TP53 P04637 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
SCHEMBL4852806 0.90 GSK3B (0.57) GSK3BROCK2GRK2SMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL5658055 0.84 GSK3B (0.54) GSK3BROCK2GRK2SMN1; SMN2MAPK1
SCHEMBL4855778 0.80 GSK3B (0.62) GSK3BROCK2SMN1; SMN2MAPK1GAA
SCHEMBL4848821 0.78 GSK3B (0.65) GSK3BROCK2MAPK1GAAHPGD
SCHEMBL4848500 0.77 GSK3B (0.62) GSK3BROCK2GRK2SMN1; SMN2MAPK1
SCHEMBL5226253 0.75 GSK3B (0.60) GSK3BROCK2GRK2SMN1; SMN2MAPK1
SCHEMBL4856282 0.75 GSK3B (0.69) GSK3BROCK2GRK2SMN1; SMN2MAPK1
SCHEMBL4856466 0.73 GSK3B (0.64) GSK3BROCK2GRK2SMN1; SMN2MAPK1
SCHEMBL4856280 0.72 GSK3B (0.75) GSK3BROCK2GRK2MAPK1GAA
SCHEMBL4848952 0.72 GSK3B (0.62) GSK3BROCK2GRK2SMN1; SMN2MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 — — US disclosed
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