SCHEMBL8049393

SCHEMBL8049393

CC(C)(C)[C@@H](NC=O)C(=O)NC/C=C/COc1ccc2c(c1)/C(=N\O)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
AURKA O14965 7/20 0.34
AURKB Q96GD4 7/20 0.34
KDR P35968 6/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMARCA2 P51531 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL8045600 0.88 MAPT (0.42) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8050533 0.88 MAPT (0.44) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8046941 0.88 KMT2A (0.44) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8051405 0.86 MAPT (0.47) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8053516 0.80 KMT2A (0.47) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8051518 0.79 KMT2A (0.53) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8052454 0.79 KMT2A (0.46) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8052530 0.79 KMT2A (0.46) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8051415 0.77 MAPT (0.45) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8050560 0.77 KMT2A (0.42) KMT2AMAPTSMN1; SMN2MEN1LMNA

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