SCHEMBL18709

SCHEMBL18709

N#Cc1nccc(OCC(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.41
CTSS P25774 2/20 0.41
NUDT1 P36639 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
KMO O15229 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL28865910 0.79 KMO (0.39) CTSKCTSSNUDT1KMOALOX5AP
SCHEMBL8564879 0.77 CTSK (0.38) CTSKCTSSNUDT1L3MBTL1KMO
SCHEMBL5622413 0.76 KMO (0.42) CTSKCTSSL3MBTL1KMOALOX5AP
SCHEMBL3966140 0.75 NUDT1 (0.43) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL28259128 0.75 NUDT1 (0.43) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL17908 0.75 LMNA (0.42) CTSKCTSSSMN1; SMN2ALOX5APFEN1
SCHEMBL14897410 0.74 NUDT1 (0.46) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL29625490 0.74 NUDT1 (0.69) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL29154 0.74 NUDT1 (0.69) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL30361286 0.74 NUDT1 (0.46) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2

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 5 patents. 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
EP-0586393-B1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LTD (GB) 1998-06-17 EP disclosed
US-5439910-A For applying to plants, seeds or soils ZENECA LIMITED (GB) 1995-08-08 US disclosed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP disclosed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 WO disclosed