SCHEMBL8040104

SCHEMBL8040104

CC(C)(C)OC(=O)NN(C=O)CCCCCCCOc1ccc2c(c1)/C(=N\O)c1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
SMARCA2 P51531 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PDK2 Q15119 2/20 0.39
MEN1 O00255 3/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL8052585 0.89 MAPT (0.39) KMT2AMAPTSMN1; SMN2POLBHTT
SCHEMBL8049234 0.89 MAPT (0.39) KMT2AMAPTSMN1; SMN2POLBHTT
SCHEMBL8046733 0.89 MAPT (0.39) KMT2AMAPTSMN1; SMN2POLBHTT
SCHEMBL8053515 0.89 MAPT (0.39) KMT2AMAPTSMN1; SMN2POLBHTT
SCHEMBL8043998 0.88 MAPT (0.39) KMT2AMAPTSMN1; SMN2POLBHTT
SCHEMBL8052590 0.88 MAPT (0.39) KMT2AMAPTSMN1; SMN2POLBHTT
SCHEMBL8041854 0.87 PDK2 (0.42) PDK2PTPN11CA12CA1CA2
SCHEMBL8052434 0.83 HDAC1 (0.33) L3MBTL1KDM4EAURKAKDRAURKB
SCHEMBL8046738 0.83 HDAC1 (0.33) L3MBTL1KDM4EAURKAKDRAURKB
SCHEMBL8041866 0.72 HTR3E (0.52) KMT2AMAPTSMN1; SMN2POLBHTT

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