SCHEMBL17379

SCHEMBL17379

N=C(NO)c1nccc(OCC(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
NUDT1 P36639 1/20 0.36
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGDS O60760 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KMO O15229 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TRPV3 Q8NET8 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
SCHEMBL17610 0.76 HDAC4 (0.38) KMO
SCHEMBL8153396 0.76 L3MBTL1 (0.44) L3MBTL1NUDT1EPHX2SMN1; SMN2HPGDS
SCHEMBL17377 0.73 POLB (0.40) L3MBTL1NUDT1KDM4EEPHX2SMN1; SMN2
SCHEMBL17378 0.73 POLB (0.40) L3MBTL1NUDT1KDM4EEPHX2SMN1; SMN2
SCHEMBL8568879 0.73 NUDT1 (0.39) L3MBTL1NUDT1KDM4EEPHX2SMN1; SMN2
SCHEMBL17659 0.71 KMO (0.30) KMO
SCHEMBL28259128 0.71 NUDT1 (0.43) L3MBTL1NUDT1KDM4ESMN1; SMN2PIM1
SCHEMBL3966140 0.71 NUDT1 (0.43) L3MBTL1NUDT1KDM4EEPHX2SMN1; SMN2
SCHEMBL2324809 0.70 SMN1; SMN2 (0.47) L3MBTL1KDM4ESMN1; SMN2MEN1LMNA
SCHEMBL14897410 0.69 NUDT1 (0.46) L3MBTL1NUDT1SMN1; SMN2PIM1PIM2

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