SCHEMBL8052585

SCHEMBL8052585

CC(C)(C)OC(=O)NN(C=O)CCCC/C=C/COc1ccc2c(c1)/C(=N/O)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
SMARCA2 P51531 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PDK2 Q15119 2/20 0.33
AURKA O14965 5/20 0.32
KDR P35968 5/20 0.32
AURKB Q96GD4 5/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8046733 1.00 MAPT (0.39) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8053515 1.00 MAPT (0.39) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8049234 1.00 MAPT (0.39) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8043998 0.97 MAPT (0.39) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8052590 0.97 MAPT (0.39) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8040104 0.89 KMT2A (0.43) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8046738 0.85 HDAC1 (0.33) AURKAKDRAURKBKDM4EL3MBTL1
SCHEMBL8052434 0.85 HDAC1 (0.33) AURKAKDRAURKBKDM4EL3MBTL1
SCHEMBL8045597 0.78 KMT2A (0.47) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8040097 0.78 KMT2A (0.47) MAPTKMT2AMEN1SMN1; SMN2LMNA

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
WO-2009085978-A1 BRIDGED CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARCEUTICALS, INC. (US) 2009-07-09 WO disclosed