SCHEMBL5879602

SCHEMBL5879602

COc1ccc(CC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 7/20 0.49
LMNA P02545 5/20 0.49
HTT P42858 4/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
EYA2 O00167 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLA P06280 1/20 0.47
SGK1 O00141 1/20 0.46

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
SCHEMBL5879603 1.00 MAPT (0.49) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5879919 0.93 LMNA (0.45) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5879923 0.93 LMNA (0.45) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5880285 0.91 LMNA (0.49) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5880282 0.91 LMNA (0.49) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5879910 0.90 LMNA (0.51) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5879907 0.90 LMNA (0.51) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5879904 0.90 KMT2A (0.52) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5879902 0.90 KMT2A (0.52) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5879797 0.89 MAPT (0.62) MAPTALDH1A1LMNAHTTSMN1; SMN2

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