SCHEMBL17377

SCHEMBL17377

N/C(=N\O)c1nccc(OCC(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 5/20 0.39
NUDT1 P36639 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.32
RAB9A P51151 2/20 0.32
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ALOX15 P16050 2/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL17378 1.00 POLB (0.40) POLBMAPK1MAPTNUDT1L3MBTL1
SCHEMBL8568879 0.82 NUDT1 (0.39) POLBMAPK1MAPTNUDT1L3MBTL1
SCHEMBL17609 0.76 ADRB1 (0.36) NPSR1GAARAB9AKMT2ANPC1
SCHEMBL17608 0.76 ADRB1 (0.36) NPSR1GAARAB9AKMT2ANPC1
SCHEMBL8153396 0.76 L3MBTL1 (0.44) POLBMAPK1MAPTNUDT1L3MBTL1
SCHEMBL17379 0.73 L3MBTL1 (0.36) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL29154 0.73 NUDT1 (0.69) MAPTNUDT1L3MBTL1PIM1PIM2
SCHEMBL29625490 0.73 NUDT1 (0.69) MAPTNUDT1L3MBTL1PIM1PIM2
SCHEMBL17658 0.71
SCHEMBL17657 0.71

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-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed