Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5207943

CCN(CC)C(=O)c1c(C(N)=O)sc2c1CCCC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.44
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.35
PARP1 P09874 1/20 0.35
FLT3 P36888 5/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RORC P51449 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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 SCHEMBL5208332 0.93 FLT3 (0.35) KIF11MEN1POLBKMT2ANPSR1
Trifluoroacetic Acid SCHEMBL5209718 0.92 FLT3 (0.39) KIF11MEN1POLBKMT2ANPSR1
Trifluoroacetic Acid SCHEMBL5211954 0.92 FLT3 (0.37) KIF11MEN1POLBKMT2AFLT3
Trifluoroacetic Acid SCHEMBL5207834 0.90 PDE4D (0.41) MEN1KMT2ANPSR1ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL5204002 0.90 FLT3 (0.38) KIF11MEN1POLBKMT2ANPSR1
Trifluoroacetic Acid SCHEMBL5280152 0.90 ALDH1A1 (0.40) KIF11MEN1KMT2AFLT3NPC1
Trifluoroacetic Acid SCHEMBL5628234 0.88 ALDH1A1 (0.38) MEN1KMT2ANPSR1FLT3NPC1
Trifluoroacetic Acid SCHEMBL5207793 0.88 PDE4D (0.40) NPSR1ALDH1A1LMNAGAAMAPT
Trifluoroacetic Acid SCHEMBL5207372 0.88 RORC (0.47) KMT2AFLT3NPC1RAB9ARORC
Trifluoroacetic Acid SCHEMBL5205740 0.87 RORC (0.38) KIF11MEN1POLBKMT2ANPSR1

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