SCHEMBL5879822

SCHEMBL5879822

COc1cccc(CC(=O)NN=Cc2ncccc2OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
ALDH1A1 P00352 8/20 0.51
LMNA P02545 8/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SGK1 O00141 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL5879818 1.00 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5879858 0.90 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2CYP2C9
SCHEMBL5879862 0.90 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2CYP2C9
SCHEMBL5880043 0.88 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880047 0.88 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880071 0.86 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880076 0.86 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5879720 0.86 MAPT (0.54) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5879717 0.86 MAPT (0.54) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5879750 0.86 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2HTT

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