SCHEMBL4866525

SCHEMBL4866525

COc1c(C(F)(F)F)nn(C)c1OCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
SCN9A Q15858 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.30
ALDH1A1 P00352 2/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 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 0.79 LMNA (0.36) LMNAMAPTHTTL3MBTL1KMT2A
SCHEMBL4554933 0.78 LMNA (0.35) LMNAMAPTHTTL3MBTL1KMT2A
SCHEMBL19058804 0.78 POLB (0.37) LMNAMAPTHTTL3MBTL1KMT2A
SCHEMBL4173041 0.75 SMN1; SMN2 (0.36) LMNAMAPTHTTL3MBTL1KMT2A
SCHEMBL4164008 0.75 KMT2A (0.33) LMNAMAPTHTTL3MBTL1KMT2A
SCHEMBL3753144 0.75 KMT2A (0.33) LMNAMAPTHTTL3MBTL1KMT2A
SCHEMBL4165780 0.74 CYP1A2 (0.36) LMNAL3MBTL1KMT2ASMN1; SMN2MEN1
SCHEMBL13930385 0.74 PKM (0.38) MAPTL3MBTL1KMT2ASMN1; SMN2GAA
SCHEMBL4167426 0.73 KMT2A (0.32) LMNAL3MBTL1KMT2AMEN1
SCHEMBL4161938 0.73 L3MBTL1 (0.33) LMNAL3MBTL1KMT2AMEN1ALDH1A1

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-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed