SCHEMBL5880190

SCHEMBL5880190

COc1cccc(CC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.48
ALDH1A1 P00352 6/20 0.47
LMNA P02545 5/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5880187 1.00 SGK1 (0.48) SGK1ALDH1A1LMNAMAPTMEN1
SCHEMBL5879661 0.96 SGK1 (0.50) SGK1ALDH1A1LMNAMAPTMEN1
SCHEMBL5879663 0.96 SGK1 (0.50) SGK1ALDH1A1LMNAMAPTMEN1
SCHEMBL5879604 0.93 SGK1 (0.52) SGK1ALDH1A1LMNAMAPTMEN1
SCHEMBL5879600 0.93 SGK1 (0.52) SGK1ALDH1A1LMNAMAPTMEN1
SCHEMBL5879754 0.90 MAPT (0.58) SGK1ALDH1A1LMNAMAPTMEN1
SCHEMBL5879750 0.90 MAPT (0.58) SGK1ALDH1A1LMNAMAPTMEN1
SCHEMBL5880295 0.90 GAA (0.49) SGK1ALDH1A1LMNAMAPTMEN1
SCHEMBL5880291 0.90 GAA (0.49) SGK1ALDH1A1LMNAMAPTMEN1
SCHEMBL5880113 0.88 SGK1 (0.48) SGK1ALDH1A1LMNAMAPTMEN1

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
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed