Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5208994

NC(=O)c1sc2c(c1C(N)=O)CCCC2.NCc1cccc(C(=O)N(CC(=O)O)c2csc(Cc3ccccc3)n2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
FLT3 P36888 7/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
RXFP1 Q9HBX9 1/20 0.32
RORC P51449 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32
LIMK1 P53667 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 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
Trifluoroacetic Acid SCHEMBL5206929 0.93 NPSR1 (0.34) FLT3NPC1RAB9ARXFP1RORC
Trifluoroacetic Acid SCHEMBL5211226 0.92 PDE4D (0.37) MEN1KMT2AMAPTALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL5204674 0.91 ENPP2 (0.34) ENPP2NPC1RAB9AMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5209115 0.90 ENPP2 (0.34) ENPP2KLKB1KLK1
Trifluoroacetic Acid SCHEMBL4809946 0.87 PDE4D (0.36) MAPTALDH1A1KDM4EHSD17B10GAA
Trifluoroacetic Acid SCHEMBL5209718 0.86 FLT3 (0.39) FLT3NPC1RAB9ARXFP1RORC
SCHEMBL5209500 0.86 ENPP2 (0.36) ENPP2FLT3MAPTALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL5206023 0.86 ENPP2 (0.36) ENPP2KLKB1KLK1
Trifluoroacetic Acid SCHEMBL5211197 0.86 FLT3 (0.36) FLT3NPC1RAB9ARXFP1RORC
Trifluoroacetic Acid SCHEMBL5206308 0.85 MEN1 (0.31) FLT3MEN1KMT2AALDH1A1KLKB1

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