SCHEMBL8568879

SCHEMBL8568879

CC(=NO)c1nccc(OCC(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP17A1 P05093 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL17377 0.82 POLB (0.40) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL17378 0.82 POLB (0.40) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL8153396 0.82 L3MBTL1 (0.44) NUDT1L3MBTL1SMN1; SMN2POLBMAPK1
SCHEMBL7778662 0.81 MAPK8 (0.39) NUDT1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL9243769 0.81 MAPK8 (0.39) NUDT1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL9243766 0.81 MAPK8 (0.39) NUDT1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL17379 0.73 L3MBTL1 (0.36) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL30361286 0.73 NUDT1 (0.46) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL14897410 0.73 NUDT1 (0.46) NUDT1L3MBTL1PIM1PIM2SMN1; SMN2
SCHEMBL3966140 0.71 NUDT1 (0.43) 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
US-5814633-A MULTISTAGE FORMATION OF OXYIMINO ANILIDES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-29 US 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