SCHEMBL13987016

SCHEMBL13987016

NC(=O)c1cc(Cl)ccc1NC(=O)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CASP1 P29466 4/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ KCNMA1 Q12791 3/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ F10 P00742 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
SCHEMBL13987014 0.88 GSK3B (0.50) MAPTGSK3BALDH1A1KDM4ECASP1
SCHEMBL4856612 0.88 GSK3B (0.49) MAPTGSK3BALDH1A1KDM4EGAA
SCHEMBL14375208 0.85 GSK3B (0.47) GSK3BCASP1GSK3ADYRK1A
SCHEMBL11246270 0.80 CASP1 (0.54) MAPTGSK3BCASP1GSK3ADYRK1A
SCHEMBL13987019 0.78 GSK3B (0.50) GSK3BCYP2C9GSK3ADYRK1A
SCHEMBL1750449 0.76 GSK3B (0.61) MAPTGSK3BALDH1A1KDM4EGAA
SCHEMBL4856682 0.75 GSK3B (0.69) MAPTGSK3BCASP1HPGDTSHR
SCHEMBL4856266 0.74 CASP1 (0.69) GSK3BCASP1TSHRMAPK1CYP2C9
SCHEMBL4851138 0.74 GSK3B (0.58) MAPTGSK3BALDH1A1CASP1MEN1
SCHEMBL13986933 0.73 ALDH1A1 (0.52) MAPTGSK3BALDH1A1CASP1MAPK1

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 3 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
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