Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2334128

N=C(N)c1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.73
PLG P00747 2/20 0.73
PROC P04070 2/20 0.73
F2 P00734 8/20 0.66
PRSS1 P07477 2/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65

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 SCHEMBL1188533 0.92 F10 (0.87) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2330089 0.91 F10 (0.88) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2325887 0.87 F10 (0.88) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2328637 0.85 F10 (0.88) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2332372 0.85 F10 (0.88) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2363805 0.84 F10 (0.77) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2329357 0.84 F10 (0.88) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2329113 0.84 F10 (0.89) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2328672 0.84 F10 (0.89) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2331724 0.84 F10 (0.88) F10PLGPROCF2PRSS1

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-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed