SCHEMBL4024869

SCHEMBL4024869

CS(=O)(=O)c1ccc(Cc2c(C(=O)O)n(-c3ccccc3)c3ncccc3c2=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 16/20 0.82
MAPK9 P45984 8/20 0.60
MAPK10 P53779 7/20 0.60
PTGDR2 Q9Y5Y4 2/20 0.48
PDE4A P27815 1/20 0.41
KCNH2 Q12809 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL847897 0.91 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL12987681 0.86 MAPK8 (0.62) MAPK8MAPK9MAPK10FEN1
SCHEMBL12983814 0.79 MAPK8 (0.78) MAPK8MAPK9MAPK10
SCHEMBL13171924 0.78 MAPK8 (0.79) MAPK8MAPK9MAPK10
SCHEMBL16530156 0.77 MAPK8 (0.70) MAPK8MAPK9MAPK10
SCHEMBL860430 0.76 MAPK8 (0.81) MAPK8MAPK9MAPK10
SCHEMBL27800315 0.76 MAPK8 (0.52) MAPK8MAPK9MAPK10PTGDR2
SCHEMBL2412937 0.75 MAPK8 (0.57) MAPK8MAPK9MAPK10PTGDR2PDE4A
SCHEMBL879581 0.75 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL848657 0.75 MAPK8 (0.75) MAPK8MAPK9MAPK10

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
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed