SCHEMBL8053516

SCHEMBL8053516

O=CNNC(=O)NC/C=C/COc1ccc2c(c1)/C(=N\O)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
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
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
AURKA O14965 6/20 0.36
KDR P35968 6/20 0.36
AURKB Q96GD4 6/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
SMARCA2 P51531 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL8041857 0.85 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8041859 0.85 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8051518 0.85 KMT2A (0.53) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8052454 0.84 KMT2A (0.46) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8052447 0.83 MAPT (0.47) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8050533 0.82 MAPT (0.44) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8051405 0.81 MAPT (0.47) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8045600 0.81 MAPT (0.42) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8049393 0.80 KMT2A (0.42) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8052438 0.80 KMT2A (0.50) KMT2AMAPTMEN1SMN1; 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