Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29803447

NCc1ccc(NC(=O)c2cnc(C3=CCNCC3)nc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ ITGB3 P05106 2/20 0.40
▸ ITGB1 P05556 2/20 0.40
▸ ITGAV P06756 2/20 0.40
▸ ITGA5 P08648 2/20 0.40
▸ PLAU P00749 2/20 0.39
▸ ITGB2 P05107 1/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ ITGB6 P18564 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ PLG P00747 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ WNT3A P56704 1/20 0.37

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
SCHEMBL24671037 0.93 MAPKAPK2 (0.46) MAPKAPK2PLAUPLGPLATKLKB1
Trifluoroacetic Acid SCHEMBL29803290 0.85 MAPKAPK2 (0.45) MAPKAPK2SLC2A1ITGB3ITGB1ITGAV
SCHEMBL24891661 0.80 MAPKAPK2 (0.52) MAPKAPK2PLAUPLGPLATKLKB1
SCHEMBL24891932 0.80 MAPKAPK2 (0.52) MAPKAPK2PLAUPLGPLATKLKB1
SCHEMBL24892281 0.79 MAPKAPK2 (0.56) MAPKAPK2SLC2A1PLAUPLGPLAT
SCHEMBL29803255 0.79 MAPKAPK2 (0.56) MAPKAPK2SLC2A1PLAUPLGPLAT
SCHEMBL24669649 0.77 MAPKAPK2 (0.50) MAPKAPK2PLAUPLGPLATKLKB1
SCHEMBL24891989 0.77 WNT3A (0.52) MAPKAPK2SLC2A1PLAUPLGPLAT
SCHEMBL24892328 0.77 MAPKAPK2 (0.43) MAPKAPK2PLAUPLGPLATKLKB1
Trifluoroacetic Acid SCHEMBL29803567 0.76 SLC6A3 (0.40) MAPKAPK2SLC2A1ITGB3ITGB1ITGAV

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
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 — — WO disclosed
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