Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5204495

NC1CCN(c2ccc([N+](=O)[O-])cc2F)C1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.51
TOP2A P11388 1/20 0.51
ALDH1A1 P00352 7/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
DPP4 P27487 2/20 0.43
SLC6A5 Q9Y345 2/20 0.43
SLC6A9 P48067 1/20 0.43
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL3553245 1.00 TOP1 (0.51) TOP1TOP2AALDH1A1MAPTLMNA
SCHEMBL4297531 0.91 ALDH1A1 (0.59) TOP1TOP2AALDH1A1MAPTLMNA
SCHEMBL4297536 0.91 ALDH1A1 (0.59) TOP1TOP2AALDH1A1MAPTLMNA
SCHEMBL9984672 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNAKMT2APOLB
Trifluoroacetic Acid SCHEMBL3555102 0.82 MAPT (0.49) ALDH1A1MAPTLMNAKMT2APOLB
Trifluoroacetic Acid SCHEMBL3552142 0.82 MAPT (0.49) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL7815260 0.79 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL854197 0.78 ALDH1A1 (0.59) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL7805532 0.78 ALDH1A1 (0.59) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL9987106 0.77 TDP1 (0.74) ALDH1A1MAPTLMNAKMT2APOLB

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-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed