Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5205875

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

nearest known ligand 0.40

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.40
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA2B P29275 4/20 0.36
ADORA1 P30542 4/20 0.36
F2 P00734 2/20 0.36
REN P00797 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 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 SCHEMBL5207641 0.95 RAD52 (0.42) RAD52TP53MAPTADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL6995379 0.95 TP53 (0.39) RAD52TP53MAPTADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL5211772 0.91 RAD52 (0.41) RAD52TP53MAPTF2MEN1
Trifluoroacetic Acid SCHEMBL6999399 0.91 RAD52 (0.41) RAD52TP53MAPTADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL5208806 0.85 MAPT (0.37) TP53MAPTF2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5207907 0.84 MAPT (0.43) TP53MAPTF2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5204087 0.83 LMNA (0.37) TP53MAPTF2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5211180 0.83 NPC1 (0.39) TP53MAPTF2
Trifluoroacetic Acid SCHEMBL5210737 0.82 F2 (0.38) MAPTF2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5209105 0.81 TP53 (0.38) TP53MAPTF2MEN1KMT2A

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