SCHEMBL5134400

SCHEMBL5134400

COC(=O)c1c(C=NO)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.51
KDM4E B2RXH2 5/20 0.49
HPGD P15428 5/20 0.49
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
RCE1 Q9Y256 1/20 0.41
NR4A2 P43354 2/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL31497571 0.83 NCEH1 (0.55) NCEH1KDM4EHPGDMEN1KMT2A
SCHEMBL30423720 0.78 NCEH1 (0.50) NCEH1KDM4EHPGDMEN1KMT2A
SCHEMBL29054179 0.78 NCEH1 (0.50) NCEH1KDM4EHPGDMEN1KMT2A
SCHEMBL14149856 0.78 NCEH1 (0.50) NCEH1KDM4EHPGDMEN1KMT2A
SCHEMBL1036677 0.76 HPGD (0.46) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1036678 0.76 HPGD (0.46) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL71131 0.74 NCEH1 (0.59) NCEH1KDM4EHPGDMEN1KMT2A
SCHEMBL1638703 0.74 CA12 (0.60) NCEH1KDM4EMEN1KMT2AALDH1A1
SCHEMBL1648076 0.74 NCEH1 (0.59) NCEH1KDM4EHPGDMEN1KMT2A
SCHEMBL29404644 0.74 NCEH1 (0.59) NCEH1KDM4EHPGDMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973888-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-01 EP disclosed
WO-2007079162-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-12 WO disclosed