Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5208518

NC(=O)c1sc2c(c1C(N)=O)CCCC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CFTR P13569 1/20 0.36
MEN1 O00255 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
RORC P51449 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 3/20 0.34
ANO1 Q5XXA6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
THRB P10828 2/20 0.34

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 SCHEMBL5205966 0.92 PDE4D (0.39) MAPTALDH1A1KDM4EHSD17B10GAA
Trifluoroacetic Acid SCHEMBL5209718 0.90 FLT3 (0.39) FLT3NPC1RAB9AMEN1CASP3
Trifluoroacetic Acid SCHEMBL5204634 0.90 MAPK10 (0.36) NPC1RAB9AMEN1KMT2ARORC
Trifluoroacetic Acid SCHEMBL5204591 0.89 F10 (0.33) FLT3KMT2AMAPT
Trifluoroacetic Acid SCHEMBL5209006 0.89 PIK3CA (0.33) FLT3MEN1KMT2ANPSR1
Trifluoroacetic Acid SCHEMBL5211954 0.86 FLT3 (0.37) FLT3NPC1RAB9AMEN1CASP3
Trifluoroacetic Acid SCHEMBL5208332 0.84 FLT3 (0.35) FLT3NPC1RAB9AMEN1CASP3
Trifluoroacetic Acid SCHEMBL5211197 0.84 FLT3 (0.36) FLT3NPC1RAB9AMEN1CASP3
Trifluoroacetic Acid SCHEMBL5203620 0.84 PIK3CA (0.33) NPC1RAB9AMEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL5280152 0.83 ALDH1A1 (0.40) FLT3NPC1RAB9AMEN1KMT2A

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