Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5209006

CS(=O)(=O)c1c(C(N)=O)sc2c1CCCC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
OPRM1 P35372 4/20 0.32
OPRD1 P41143 4/20 0.32
KEAP1 Q14145 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TPSAB1 Q15661 1/20 0.31
FLT3 P36888 1/20 0.31
PARP1 P09874 1/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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 SCHEMBL5209056 0.91 F2 (0.34) OPRM1OPRD1MEN1POLBKMT2A
Trifluoroacetic Acid SCHEMBL5208518 0.89 FLT3 (0.38) MEN1KMT2ANPSR1FLT3
Trifluoroacetic Acid SCHEMBL5204634 0.87 MAPK10 (0.36) PIK3CAPIK3CBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5204591 0.86 F10 (0.33) PIK3CAPIK3CBGPBAR1KMT2AFLT3
Trifluoroacetic Acid SCHEMBL5205966 0.86 PDE4D (0.39) NPSR1
Trifluoroacetic Acid SCHEMBL5208294 0.85 MEN1 (0.31) OPRM1OPRD1MEN1POLBKMT2A
Trifluoroacetic Acid SCHEMBL5209115 0.84 ENPP2 (0.34) OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL5203620 0.81 PIK3CA (0.33) PIK3CAPIK3CBGPBAR1MEN1POLB
Trifluoroacetic Acid SCHEMBL5209718 0.79 FLT3 (0.39) MEN1POLBKMT2ANPSR1FLT3
Trifluoroacetic Acid SCHEMBL5211954 0.79 FLT3 (0.37) MEN1POLBKMT2AFLT3

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