Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5791925

Cc1ccccc1CC(=O)NN(CC(C)C)c1ccnc(C#N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.38
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
P2RX7 Q99572 1/20 0.33
CTSS P25774 3/20 0.32
SCN2A Q99250 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL8268834 0.94 MAPK8 (0.39) CTSKMAPK8MAPK9ANO1P2RX7
Trifluoroacetic Acid SCHEMBL5791900 0.89 CTSK (0.44) CTSKMAPK8MAPK9CTSSCTSL
Trifluoroacetic Acid SCHEMBL5792623 0.89 HPGD (0.39) CTSKMAPK8MAPK9NPC1MEN1
Trifluoroacetic Acid SCHEMBL5790897 0.85 CTSK (0.38) CTSKCTSSCTSLCTSBNPC1
SCHEMBL8270504 0.83 MAPK8 (0.40) CTSKMAPK8MAPK9ANO1CTSS
SCHEMBL8271456 0.83 CTSK (0.47) CTSKMAPK8MAPK9CTSSCTSL
Trifluoroacetic Acid SCHEMBL5794677 0.83 CTSK (0.39) CTSKANO1CTSSCTSLCTSB
Trifluoroacetic Acid SCHEMBL5792604 0.82 CTSK (0.43) CTSKCTSSCTSLCTSBMEN1
Trifluoroacetic Acid SCHEMBL5792007 0.82 MAPT (0.37) CTSKMAPK8MAPK9CTSSCTSL
SCHEMBL8268835 0.82 HPGD (0.43) MAPK8MAPK9NPC1MEN1RAB9A

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-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 WO claimed