SCHEMBL5880071

SCHEMBL5880071

COc1cccc(CC(=O)N/N=C/c2cccnc2OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
LMNA P02545 7/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
SGK1 O00141 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ROCK2 O75116 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
SCHEMBL5880076 1.00 MAPT (0.47) MAPTLMNAALDH1A1SMN1; SMN2SGK1
SCHEMBL5879818 0.86 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2SGK1
SCHEMBL5879822 0.86 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2SGK1
SCHEMBL5879750 0.86 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2SGK1
SCHEMBL5879754 0.86 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2SGK1
SCHEMBL5880089 0.85 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2SGK1
SCHEMBL5880093 0.85 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2SGK1
SCHEMBL5879833 0.84 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2SGK1
SCHEMBL5879828 0.84 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2SGK1
SCHEMBL5879800 0.84 ALDH1A1 (0.53) MAPTLMNAALDH1A1SMN1; SMN2SGK1

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