SCHEMBL4554933

SCHEMBL4554933

[CH2]c1c(C(F)(F)F)nn(C)c1OCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 4/20 0.32
HTT P42858 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
NCOA1 Q15788 2/20 0.31
NCOA3 Q9Y6Q9 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SCN9A Q15858 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
SCHEMBL5369514 0.81 LMNA (0.36) LMNAKMT2AMAPTHTTL3MBTL1
SCHEMBL19058804 0.79 POLB (0.37) LMNAKMT2AMAPTHTTL3MBTL1
SCHEMBL4866525 0.78 LMNA (0.36) LMNAKMT2AMAPTHTTL3MBTL1
SCHEMBL3753144 0.77 KMT2A (0.33) LMNAKMT2AMAPTHTTL3MBTL1
SCHEMBL4164008 0.77 KMT2A (0.33) LMNAKMT2AMAPTHTTL3MBTL1
SCHEMBL4173041 0.77 SMN1; SMN2 (0.36) LMNAKMT2AMAPTHTTL3MBTL1
SCHEMBL4165780 0.76 CYP1A2 (0.36) LMNAKMT2AL3MBTL1SMN1; SMN2MEN1
SCHEMBL13930385 0.76 PKM (0.38) KMT2AMAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL4167426 0.74 KMT2A (0.32) LMNAKMT2AL3MBTL1MEN1
SCHEMBL4161938 0.74 L3MBTL1 (0.33) LMNAKMT2AL3MBTL1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120939-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008100426-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-21 WO disclosed