SCHEMBL5879846

SCHEMBL5879846

CN(C)c1ccc(C(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
GAA P10253 4/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 7/20 0.52
MAPT P10636 9/20 0.51
HTT P42858 6/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PKM P14618 2/20 0.48
EYA2 O00167 1/20 0.46
IDO1 P14902 1/20 0.46
POLB P06746 1/20 0.46
PTBP1 P26599 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 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
SCHEMBL5879842 1.00 KDM4E (0.55) KDM4EGAAMAPK1LMNAMAPT
SCHEMBL5880199 0.88 LMNA (0.47) KDM4EGAAMAPK1LMNAMAPT
SCHEMBL5880203 0.88 LMNA (0.47) KDM4EGAAMAPK1LMNAMAPT
SCHEMBL5880124 0.84 MAPT (0.58) KDM4EGAAMAPK1LMNAMAPT
SCHEMBL5880128 0.84 MAPT (0.58) KDM4EGAAMAPK1LMNAMAPT
SCHEMBL5880054 0.83 MAPT (0.54) KDM4EGAAMAPK1LMNAMAPT
SCHEMBL5879870 0.83 LMNA (0.57) KDM4EGAAMAPK1LMNAMAPT
SCHEMBL6379352 0.83 LMNA (0.57) KDM4EGAAMAPK1LMNAMAPT
SCHEMBL6374926 0.83 MAPT (0.54) KDM4EGAAMAPK1LMNAMAPT
SCHEMBL5879777 0.82 LMNA (0.51) KDM4EGAAMAPK1LMNAMAPT

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