SCHEMBL13987014

SCHEMBL13987014

Nc1cc(Cl)ccc1NC(=O)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.50
▸ HDAC1 Q13547 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ KCNMA1 Q12791 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GSK3A P49840 1/20 0.39

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
SCHEMBL4856612 0.89 GSK3B (0.49) GSK3BALDH1A1KDM4ENPC1RAB9A
SCHEMBL13987016 0.88 MAPT (0.47) GSK3BALDH1A1KDM4EMAPTCYP2C9
SCHEMBL13987019 0.83 GSK3B (0.50) GSK3BHDAC1CYP2C9GSK3ADYRK1A
SCHEMBL1750449 0.77 GSK3B (0.61) GSK3BHDAC1ALDH1A1KDM4ENPC1
SCHEMBL2944943 0.77 HDAC1 (0.47) GSK3BHDAC1GSK3ADYRK1AHDAC3
SCHEMBL4847269 0.76 GSK3B (0.81) GSK3BCYP2C9TSHRMAPK1CASP1
SCHEMBL4856682 0.76 GSK3B (0.69) GSK3BMAPTCYP2C9HPGDTSHR
SCHEMBL4856266 0.75 CASP1 (0.69) GSK3BCYP2C9TSHRMAPK1CASP1
SCHEMBL14375208 0.75 GSK3B (0.47) GSK3BHDAC1GSK3ADYRK1ACASP1
SCHEMBL4851138 0.74 GSK3B (0.58) GSK3BHDAC1ALDH1A1NPC1RAB9A

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
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