SCHEMBL28675083

SCHEMBL28675083

NNC(=O)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.50
ALDH1A1 P00352 2/20 0.48
FABP4 P15090 2/20 0.46
TACR1 P25103 2/20 0.45
BACE1 P56817 1/20 0.45
FABP5 Q01469 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
ALOX5AP P20292 3/20 0.44
FEN1 P39748 3/20 0.44
NTRK1 P04629 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C8 P10632 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43

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
SCHEMBL28930572 0.85 MAPT (0.44) ALDH1A1GAAMAPTGFERMEN1
SCHEMBL6639339 0.83 PTGDR2 (0.50) PTGDR2ALDH1A1FABP4TACR1BACE1
SCHEMBL28662231 0.83 BCAT2 (0.56) PTGDR2ALDH1A1FABP4TACR1BACE1
SCHEMBL343208 0.83 HSD17B10 (0.53) PTGDR2ALDH1A1FABP4TACR1BACE1
Hydrochloric Acid SCHEMBL7763180 0.81 HSD17B10 (0.51) PTGDR2ALDH1A1FABP4TACR1BACE1
SCHEMBL6792746 0.81 PTGS1 (0.57)
SCHEMBL28020268 0.81 RORB (0.61) ALDH1A1GAA
SCHEMBL7086952 0.81 PLG (0.53)
SCHEMBL28689536 0.80 MAPT (0.54) ALDH1A1GAAMAPTGFERMEN1
SCHEMBL7086631 0.80 NPC1 (0.54)

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
CN-113652705-B Method for synthesizing fluorenone through catalytic electrolysis of N-hydroxyphthalimide 北京工业大学 2022-07-22 CN disclosed
CN-113652705-A Method for synthesizing fluorenone by catalyzing and electrolyzing N-hydroxyphthalimide 北京工业大学 2021-11-16 CN disclosed