SCHEMBL8561663

SCHEMBL8561663

O=[N+]([O-])c1ccc(O)c(/C=N/CCC(F)=C(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
POLB P06746 2/20 0.53
ERN1 O75460 1/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
HTT P42858 5/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 4/20 0.47
HCRTR1 O43613 1/20 0.47
ADORA2A P29274 1/20 0.46
PHGDH O43175 1/20 0.46
FNTA P49354 1/20 0.46

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
SCHEMBL8561665 1.00 MAPT (0.55) MAPTALDH1A1GAAPOLBERN1
SCHEMBL1031372 0.86 POLB (0.64) MAPTALDH1A1GAAPOLBERN1
SCHEMBL1031373 0.86 POLB (0.64) MAPTALDH1A1GAAPOLBERN1
Bromide SCHEMBL6531580 0.84 POLB (0.61) MAPTALDH1A1GAAPOLBERN1
SCHEMBL14354141 0.82 POLB (0.59) MAPTALDH1A1GAAPOLBERN1
SCHEMBL14354139 0.82 POLB (0.59) MAPTALDH1A1GAAPOLBERN1
SCHEMBL16627922 0.81 POLB (0.62) MAPTALDH1A1GAAPOLBERN1
SCHEMBL27558820 0.81 MAPT (0.60) MAPTALDH1A1GAAPOLBERN1
SCHEMBL5728986 0.80 POLB (0.60) MAPTALDH1A1GAAPOLBERN1
SCHEMBL10569960 0.77 MAPT (0.59) MAPTALDH1A1GAAPOLBERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5457134-A Controlling nematodes, insects, acarids on plants MONSANTO COMPANY (US) 1995-10-10 US claimed
EP-0640069-B1 FLUOROALKENYL COMPOUNDS AND THEIR USE AS PEST REPELLENTS MONSANTO CO (US) 1998-11-04 EP disclosed
EP-0798285-A2 3,4,4-Trifluoro-3-butenoic acid or its methyl ester MONSANTO COMPANY (US) 1997-10-01 EP disclosed
US-5561162-A SYSTEMIC PESTICIDES; NEMATOCIDES; INSECTICIDES; MITICIDES; EFFICIENCY; CROPS MONSANTO COMPANY (US) 1996-10-01 US disclosed
US-5457134-A Controlling nematodes, insects, acarids on plants MONSANTO COMPANY (US) 1995-10-10 US disclosed
US-5389680-A Insecticides, nematocides, miticides MONSANTO COMPANY (US) 1995-02-14 US disclosed
WO-1992015555-A2 FLUOROALKENYL COMPOUNDS AND THEIR USE AS PEST REPELLENTS MONSANTO COMPANY (US) 1992-09-17 WO disclosed