SCHEMBL5879799

SCHEMBL5879799

COc1ccc(CC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.62
LMNA P02545 8/20 0.62
HTT P42858 4/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 9/20 0.56
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL5879797 1.00 MAPT (0.62) MAPTLMNAHTTKMT2AMEN1
SCHEMBL5879602 0.89 MAPT (0.49) MAPTLMNAHTTKMT2AMEN1
SCHEMBL5879603 0.89 MAPT (0.49) MAPTLMNAHTTKMT2AMEN1
SCHEMBL5879754 0.88 MAPT (0.58) MAPTLMNAHTTKMT2AMEN1
SCHEMBL5879750 0.88 MAPT (0.58) MAPTLMNAHTTKMT2AMEN1
SCHEMBL5879620 0.86 LMNA (0.60) MAPTLMNAHTTKMT2AMEN1
SCHEMBL5879622 0.86 LMNA (0.60) MAPTLMNAHTTKMT2AMEN1
SCHEMBL5879830 0.85 SGK1 (0.52) MAPTLMNAHTTKMT2AMEN1
SCHEMBL5879827 0.85 SGK1 (0.52) MAPTLMNAHTTKMT2AMEN1
SCHEMBL5880226 0.83 ALDH1A1 (0.53) MAPTLMNAHTTKMT2AMEN1

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