SCHEMBL6452676

SCHEMBL6452676

O=[N+]([O-])c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
ATM Q13315 1/20 0.56
TTR P02766 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 2/20 0.42
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
VCAM1 P19320 1/20 0.40
PTGES O14684 1/20 0.36
MAPK1 P28482 2/20 0.36
EPAS1 Q99814 1/20 0.36
AKR1B1 P15121 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL19878494 0.86 ALDH1A1 (0.55) TDP1ATMTTRALDH1A1HIF1A
SCHEMBL29580528 0.85 TDP1 (0.60) TDP1ATMTTRALDH1A1HIF1A
SCHEMBL113070 0.85 TDP1 (0.60) TDP1ATMTTRALDH1A1HIF1A
SCHEMBL6690245 0.82 MAPT (0.50) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL29910964 0.82 MAPT (0.50) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL12724984 0.80 TDP1 (0.58) TDP1ATMTTRALDH1A1HIF1A
SCHEMBL24710396 0.78 ALDH1A1 (0.50) TDP1ATMTTRALDH1A1HIF1A
SCHEMBL28290639 0.78 ALDH1A1 (0.41) TDP1ATMTTRALDH1A1HIF1A
SCHEMBL3900786 0.77 TDP1 (0.55) TDP1ATMTTRALDH1A1HIF1A
SCHEMBL1026013 0.77 ALDH1A1 (0.53) TDP1TTRALDH1A1HIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005123636-A1 PRODUCTION OF FLUORINATED ALKYL AROMATES SOLVAY FLUOR GMBH (DE) 2005-12-29 WO claimed