SCHEMBL6947748

SCHEMBL6947748

C#CCOc1cc(-n2ncc(SC)c(Cl)c2=O)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
PGK1 P00558 1/20 0.38
PPOX P50336 4/20 0.33
MAPK14 Q16539 4/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2B6 P20813 1/20 0.31

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
SCHEMBL6951333 0.87 GAA (0.42) GAAPGK1PPOXMAPK14ALDH1A1
SCHEMBL6954778 0.84 GAA (0.40) GAAPGK1PPOXMAPK14
SCHEMBL5843151 0.83 RAB9A (0.42) GAAPGK1PPOXMAPK14ALDH1A1
SCHEMBL6954870 0.82 GAA (0.38) GAAPGK1PPOXMAPK14
SCHEMBL10413459 0.79 PGK1 (0.37) GAAPGK1PPOX
SCHEMBL4248457 0.78 PGK1 (0.35) GAAPGK1PPOXMAPK14
SCHEMBL9799793 0.77 PGK1 (0.39) GAAPGK1PPOXCYP2B6
SCHEMBL6955641 0.77 GAA (0.34) GAAPGK1PPOXMAPK14
SCHEMBL6477318 0.77 PGK1 (0.36) GAAPGK1PPOXMAPK14
SCHEMBL9661744 0.73 PGK1 (0.39) PGK1PPOXALDH1A1

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
EP-1034166-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BASF AG (DE) 2003-05-02 EP disclosed
US-6225313-B1 USE AS HERBICIDES AND FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-05-01 US disclosed
EP-1034166-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BASF AKTIENGESELLSCHAFT (DE) 2000-09-13 EP disclosed
WO-1999014201-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BASF AKTIENGESELLSCHAFT (DE) 1999-03-25 WO disclosed