Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5794085

CC(C)CN(NC(=O)NCCCl)c1ccnc(C#N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.36
CTSK P43235 4/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
FGFR4 P22455 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL8270723 0.93 CTSK (0.39) CTSSCTSKCTSLCTSBFGFR4
Trifluoroacetic Acid SCHEMBL5791565 0.90 CTSK (0.35) CTSSCTSKCTSLCTSBFGFR4
Trifluoroacetic Acid SCHEMBL5791713 0.90 CTSK (0.37) CTSSCTSKCTSLCTSBFGFR4
Trifluoroacetic Acid SCHEMBL5791179 0.88 CTSK (0.42) CTSSCTSKCTSL
Trifluoroacetic Acid SCHEMBL5792604 0.86 CTSK (0.43) CTSSCTSKCTSLCTSBHRH4
SCHEMBL5792642 0.84 CTSK (0.36) CTSSCTSKCTSLCTSBFGFR4
SCHEMBL5791557 0.84 CTSK (0.36) CTSSCTSKCTSLCTSBFGFR4
SCHEMBL5804674 0.83 CTSK (0.35) CTSSCTSKCTSLCTSBFGFR4
SCHEMBL5794916 0.83 CTSK (0.35) CTSSCTSKCTSLCTSBFGFR4
Trifluoroacetic Acid SCHEMBL5794657 0.83 RECQL (0.35) CTSSCTSKCTSLCTSBFGFR4

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