Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5209196

Cc1cccc(N(CC(=O)O)C(=O)c2cccc(CN)c2)n1.NC(=O)c1sc2c(c1-c1ccccn1)CCCC2.O=C(O)C(F)(F)F

nearest known ligand 0.33

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.33
F10 P00742 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
TGFBR1 P36897 3/20 0.31
F2 P00734 1/20 0.31
KDR P35968 2/20 0.31
MAPK14 Q16539 2/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
PRKD1 Q15139 1/20 0.31
TSHR P16473 1/20 0.31
PARP1 P09874 1/20 0.31
KLKB1 P03952 1/20 0.30
KLK1 P06870 1/20 0.30
FLT3 P36888 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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 SCHEMBL5211197 0.90 FLT3 (0.36) FLT3GAANPSR1RORC
Trifluoroacetic Acid SCHEMBL5204258 0.90 F10 (0.34) F10FABP4FABP5F2PARP1
Trifluoroacetic Acid SCHEMBL5206308 0.88 MEN1 (0.31) F10FABP4FABP5MAPK14PARP1
Trifluoroacetic Acid SCHEMBL5208796 0.87 SMN1; SMN2 (0.35) TSHRGAAHTT
Trifluoroacetic Acid SCHEMBL5208294 0.87 MEN1 (0.31) FLT3NPSR1RORC
Trifluoroacetic Acid SCHEMBL5204591 0.86 F10 (0.33) F10F2PARP1FLT3
Trifluoroacetic Acid SCHEMBL5209741 0.86 PDE4D (0.38) GAANPSR1
SCHEMBL5209500 0.83 ENPP2 (0.36) IKBKBF2TSHRPARP1KLKB1
Trifluoroacetic Acid SCHEMBL5208291 0.82 MAPT (0.33) F2
Trifluoroacetic Acid SCHEMBL5209718 0.78 FLT3 (0.39) FLT3GAANPSR1RORC

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