Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5067780

CN(C)C(=O)c1cccc(-c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.57
ERN1 O75460 6/20 0.54
KEAP1 Q14145 4/20 0.52
NFE2L2 Q16236 4/20 0.52
KMO O15229 1/20 0.50
HDAC8 Q9BY41 1/20 0.46
KIF11 P52732 1/20 0.45
CYP3A4 P08684 1/20 0.44
MAP4K1 Q92918 1/20 0.44
KCNA5 P22460 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL1135975 0.90 ERN1 (0.60) PDK2ERN1KEAP1NFE2L2KMO
SCHEMBL30283775 0.90 ERN1 (0.60) PDK2ERN1KEAP1NFE2L2KMO
Hydrochloric Acid SCHEMBL28646857 0.89 ERN1 (0.59) PDK2ERN1KEAP1NFE2L2KMO
Trifluoroacetic Acid SCHEMBL27759146 0.85 CES1 (0.52) PDK2KIF11CYP3A4MEN1KMT2A
SCHEMBL28022901 0.83 KMO (0.51) PDK2ERN1KEAP1NFE2L2KMO
Trifluoroacetic Acid SCHEMBL6300559 0.82 KMO (0.75) PDK2KMOHDAC8
SCHEMBL27876786 0.81 SMN1; SMN2 (0.55) PDK2ERN1KMOHDAC8CYP3A4
SCHEMBL12168605 0.81 ERN1 (0.58) PDK2ERN1KMO
SCHEMBL22551129 0.80 SLC6A2 (0.54) PDK2ERN1KEAP1NFE2L2
SCHEMBL17795214 0.79 ERN1 (0.60) PDK2ERN1KMOCYP3A4MAP4K1

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-1954682-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-08-13 EP claimed
WO-2007058601-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-05-24 WO claimed