SCHEMBL5879828

SCHEMBL5879828

COc1cccc(CC(=O)N/N=C/c2cccc(OC)c2OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 8/20 0.57
ALDH1A1 P00352 10/20 0.54
HTT P42858 3/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
SGK1 O00141 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL5879833 1.00 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5879605 0.93 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5879607 0.93 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5880089 0.92 MAPT (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5880093 0.92 MAPT (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5879750 0.91 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5879754 0.91 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5880342 0.90 MAPT (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5880344 0.90 MAPT (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5879776 0.90 LMNA (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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