SCHEMBL5879720

SCHEMBL5879720

COc1cccc(CC(=O)NN=Cc2c(F)cccc2OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
ALDH1A1 P00352 9/20 0.54
LMNA P02545 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SGK1 O00141 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
POLB P06746 1/20 0.42
GRK2 P25098 1/20 0.40
GRK5 P34947 1/20 0.40
GRK3 P35626 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL5879717 1.00 MAPT (0.54) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880047 0.91 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880043 0.91 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880265 0.91 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880269 0.91 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880060 0.89 ALDH1A1 (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880065 0.89 ALDH1A1 (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880105 0.89 ALDH1A1 (0.59) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5880110 0.89 ALDH1A1 (0.59) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5879750 0.88 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