SCHEMBL6955641

SCHEMBL6955641

C#CCOc1cc(-n2ncc(S(C)(=O)=O)c(N)c2=O)c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
PPOX P50336 5/20 0.34
PGK1 P00558 1/20 0.34
MAPK14 Q16539 4/20 0.31
MAOB P27338 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL6954870 0.90 GAA (0.38) GAAPPOXPGK1MAPK14
SCHEMBL6951333 0.80 GAA (0.42) GAAPPOXPGK1MAPK14
SCHEMBL6954778 0.77 GAA (0.40) GAAPPOXPGK1MAPK14
SCHEMBL5843151 0.77 RAB9A (0.42) GAAPPOXPGK1MAPK14
SCHEMBL6947748 0.77 GAA (0.40) GAAPPOXPGK1MAPK14
SCHEMBL10413459 0.76 PGK1 (0.37) GAAPPOXPGK1
SCHEMBL4248457 0.76 PGK1 (0.35) GAAPPOXPGK1MAPK14
SCHEMBL9799793 0.75 PGK1 (0.39) GAAPPOXPGK1MAOB
SCHEMBL6477318 0.74 PGK1 (0.36) GAAPPOXPGK1MAPK14
SCHEMBL8109941 0.71 PPOX (0.55) PPOX

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 2 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