SCHEMBL4055368

SCHEMBL4055368

O=C(CC(=O)C(F)(F)F)c1cc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.56
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 4/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL4060138 0.88 FLT3 (0.53) FLT3ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL4599061 0.86 ALDH1A1 (0.50) FLT3ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL6753142 0.85 FLT3 (0.57) FLT3ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL5158485 0.81 FLT3 (0.62) FLT3ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL3032755 0.80 FLT3 (0.61) FLT3ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL14432867 0.79 FLT3 (0.65) FLT3ALDH1A1MAPTL3MBTL1NPC1
Trifluoroacetic Acid SCHEMBL5793232 0.78 SMN1; SMN2 (0.61) FLT3ALDH1A1MAPTNPC1RAB9A
SCHEMBL10313745 0.77 FLT3 (0.67) FLT3ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL28117952 0.77 FLT3 (0.67) FLT3ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL10155752 0.77 FLT3 (0.67) FLT3ALDH1A1MAPTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115644-A1 LANTHANIDE(III) CHELATES COMPRISING BETA-DIKETONES AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-09-24 WO disclosed
US-20070132366-A1 Light emitting device and lighting device using it, image display unit MITSUBISHI CHEMICAL CORPORATION (JP) 2007-06-14 US disclosed
US-20070132366-A1 Light emitting device and lighting device using it, image display unit MITSUBISHI CHEMICAL CORPORATION (JP) 2007-06-14 US disclosed