SCHEMBL5879729

SCHEMBL5879729

COc1cccc(CC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(OC(C)C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.48
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 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
SCHEMBL5879732 1.00 SGK1 (0.48) SGK1MEN1KMT2ALMNAMAPT
SCHEMBL5879600 0.93 SGK1 (0.52) SGK1MEN1KMT2ALMNAMAPT
SCHEMBL5879604 0.93 SGK1 (0.52) SGK1MEN1KMT2ALMNAMAPT
SCHEMBL5879661 0.91 SGK1 (0.50) SGK1MEN1KMT2ALMNAMAPT
SCHEMBL5879663 0.91 SGK1 (0.50) SGK1MEN1KMT2ALMNAMAPT
SCHEMBL5879754 0.90 MAPT (0.58) SGK1MEN1KMT2ALMNAMAPT
SCHEMBL5879750 0.90 MAPT (0.58) SGK1MEN1KMT2ALMNAMAPT
SCHEMBL5880187 0.88 SGK1 (0.48) SGK1MEN1KMT2ALMNAMAPT
SCHEMBL5880190 0.88 SGK1 (0.48) SGK1MEN1KMT2ALMNAMAPT
SCHEMBL5880136 0.88 SGK1 (0.49) SGK1MEN1KMT2ALMNAMAPT

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