SCHEMBL5879771

SCHEMBL5879771

COc1ccccc1CC(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.50
MAPT P10636 7/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
HTT P42858 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
XBP1 P17861 1/20 0.45
KDM4E B2RXH2 1/20 0.45
EYA2 O00167 1/20 0.45
CSNK1D P48730 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL5879774 1.00 LMNA (0.50) LMNAMAPTKMT2AMEN1HTT
SCHEMBL5879725 0.93 LMNA (0.54) LMNAMAPTKMT2AMEN1HTT
SCHEMBL5879726 0.93 LMNA (0.54) LMNAMAPTKMT2AMEN1HTT
SCHEMBL5880250 0.91 LMNA (0.49) LMNAMAPTKMT2AMEN1HTT
SCHEMBL5880254 0.91 LMNA (0.49) LMNAMAPTKMT2AMEN1HTT
SCHEMBL5880067 0.91 MAPT (0.48) LMNAMAPTKMT2AMEN1HTT
SCHEMBL5880061 0.91 MAPT (0.48) LMNAMAPTKMT2AMEN1HTT
SCHEMBL5880103 0.91 KMT2A (0.52) LMNAMAPTKMT2AMEN1HTT
SCHEMBL5880100 0.91 KMT2A (0.52) LMNAMAPTKMT2AMEN1HTT
SCHEMBL5880099 0.90 LMNA (0.51) LMNAMAPTKMT2AMEN1HTT

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