Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5207641

COc1ccc(C)c2sc(C(N)=O)nc12.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.42
MAPT P10636 4/20 0.38
TP53 P04637 4/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.36
CHRM4 P08173 3/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
F2 P00734 1/20 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 SCHEMBL6999399 0.95 RAD52 (0.41) RAD52MAPTTP53POLBLMNA
Trifluoroacetic Acid SCHEMBL5205875 0.95 RAD52 (0.40) RAD52MAPTTP53ADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL6995379 0.91 TP53 (0.39) RAD52MAPTTP53ADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL5211772 0.89 RAD52 (0.41) RAD52MAPTTP53POLBLMNA
Trifluoroacetic Acid SCHEMBL5208806 0.85 MAPT (0.37) MAPTTP53POLBLMNAGAA
Trifluoroacetic Acid SCHEMBL5210737 0.82 F2 (0.38) MAPTF2
Trifluoroacetic Acid SCHEMBL5207907 0.81 MAPT (0.43) MAPTTP53POLBLMNAF2
Trifluoroacetic Acid SCHEMBL7432339 0.81 LMNA (0.37) MAPTTP53POLBLMNAGAA
Trifluoroacetic Acid SCHEMBL5204087 0.81 LMNA (0.37) MAPTTP53LMNAF2
Trifluoroacetic Acid SCHEMBL5211180 0.80 NPC1 (0.39) MAPTTP53LMNAGAAHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed