SCHEMBL5880295

SCHEMBL5880295

COc1cccc(CC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(Oc3cccnc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.45
SGK1 O00141 1/20 0.45
GRK2 P25098 2/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL5880291 1.00 GAA (0.49) GAAPKMRXFP1LMNAALDH1A1
SCHEMBL5879663 0.92 SGK1 (0.50) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL5879661 0.92 SGK1 (0.50) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL5880187 0.90 SGK1 (0.48) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL5880190 0.90 SGK1 (0.48) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL5879600 0.89 SGK1 (0.52) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL5879604 0.89 SGK1 (0.52) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL5879754 0.86 MAPT (0.58) GAALMNAALDH1A1MAPTSGK1
SCHEMBL5879750 0.86 MAPT (0.58) GAALMNAALDH1A1MAPTSGK1
SCHEMBL5879716 0.85 MEN1 (0.47) GAAPKMLMNAALDH1A1KDM4E

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