SCHEMBL5879716

SCHEMBL5879716

COc1cccc(CC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(Oc3ccccc3)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
SGK1 O00141 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 2/20 0.42
ADAMTS4 O75173 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 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
SCHEMBL5879711 1.00 MEN1 (0.47) MEN1KMT2ASGK1NPSR1CYP1A2
SCHEMBL5879663 0.89 SGK1 (0.50) MEN1KMT2ASGK1NPSR1ALDH1A1
SCHEMBL5879661 0.89 SGK1 (0.50) MEN1KMT2ASGK1NPSR1ALDH1A1
SCHEMBL5879604 0.86 SGK1 (0.52) MEN1KMT2ASGK1NPSR1ALDH1A1
SCHEMBL5879600 0.86 SGK1 (0.52) MEN1KMT2ASGK1NPSR1ALDH1A1
SCHEMBL5880187 0.85 SGK1 (0.48) MEN1KMT2ASGK1NPSR1ALDH1A1
SCHEMBL5880190 0.85 SGK1 (0.48) MEN1KMT2ASGK1NPSR1ALDH1A1
SCHEMBL5880291 0.85 GAA (0.49) MEN1KMT2ASGK1CYP2C9ALDH1A1
SCHEMBL5880295 0.85 GAA (0.49) MEN1KMT2ASGK1CYP2C9ALDH1A1
SCHEMBL5879754 0.85 MAPT (0.58) MEN1KMT2ASGK1CYP1A2CYP3A4

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