SCHEMBL6588745

SCHEMBL6588745

Cc1nonc1/C(=N\O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.46
AKT1 P31749 2/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GFER P55789 2/20 0.43
POLB P06746 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 2/20 0.35
MGLL Q99685 1/20 0.34
TP53 P04637 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
SCHEMBL6587272 1.00 PKM (0.46) PKMAKT1ALDH1A1HPGDMAPT
SCHEMBL6587279 1.00 PKM (0.46) PKMAKT1ALDH1A1HPGDMAPT
SCHEMBL7459160 0.83 PKM (0.40) PKMALDH1A1HPGDL3MBTL1GFER
SCHEMBL7459162 0.83 PKM (0.40) PKMALDH1A1HPGDL3MBTL1GFER
SCHEMBL6587237 0.76 PKM (0.50) PKMALDH1A1HPGDMAPTNPSR1
SCHEMBL6601795 0.71 ALDH1A1 (0.43) ALDH1A1HPGDMAPTNPSR1L3MBTL1
SCHEMBL6601791 0.71 ALDH1A1 (0.43) ALDH1A1HPGDMAPTNPSR1L3MBTL1
SCHEMBL15372850 0.71 ALDH1A1 (0.43) ALDH1A1HPGDMAPTNPSR1L3MBTL1
SCHEMBL273196 0.71 HPGD (0.64) PKMALDH1A1HPGDMAPTNPSR1
SCHEMBL27961040 0.71 HPGD (0.64) PKMALDH1A1HPGDMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038874-B1 OXIME DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THE SAME DAINIPPON INK & CHEMICALS (JP) 2004-03-03 EP disclosed
US-6340697-B1 PESTICIDES, PLANT DISEASE CONTROL AGENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-01-22 US disclosed
EP-1038874-A1 OXIME DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-27 EP disclosed