Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5206308

CCc1nc(N(CC(=O)O)C(=O)c2cccc(CN)c2)cs1.NC(=O)c1sc2c(c1-c1ccccn1)CCCC2.O=C(O)C(F)(F)F

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM1 Q13255 2/20 0.31
F10 P00742 1/20 0.31
KLKB1 P03952 1/20 0.30
KLK1 P06870 1/20 0.30
FLT3 P36888 1/20 0.30
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30
PARP1 P09874 1/20 0.30
MAPK14 Q16539 1/20 0.30

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 SCHEMBL5206929 0.90 NPSR1 (0.34) MEN1ALDH1A1RECQLKMT2ANPSR1
SCHEMBL5209500 0.90 ENPP2 (0.36) ALDH1A1GRM1KLKB1KLK1FLT3
Trifluoroacetic Acid SCHEMBL5209196 0.88 IKBKB (0.33) NPSR1F10KLKB1KLK1FLT3
Trifluoroacetic Acid SCHEMBL4812316 0.88 ALDH1A1 (0.33) MEN1ALDH1A1RECQLKMT2ANPSR1
Trifluoroacetic Acid SCHEMBL5204258 0.87 F10 (0.34) F10FLT3FABP4FABP5PARP1
Trifluoroacetic Acid SCHEMBL4809946 0.87 PDE4D (0.36) ALDH1A1NPSR1
Trifluoroacetic Acid SCHEMBL5208994 0.85 ENPP2 (0.36) MEN1ALDH1A1KMT2ANPSR1KLKB1
Trifluoroacetic Acid SCHEMBL5204591 0.84 F10 (0.33) KMT2AF10FLT3PARP1
Trifluoroacetic Acid SCHEMBL5209115 0.83 ENPP2 (0.34) KLKB1KLK1
Trifluoroacetic Acid SCHEMBL5211226 0.83 PDE4D (0.37) MEN1ALDH1A1KMT2ANPSR1

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
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed