Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7151193

N=C(N)c1ccc2cc(Oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3-c3cc4ccccc4cc3C(=O)O)ccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
F2 P00734 6/20 0.48
TMPRSS6 Q8IU80 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PLA2G7 Q13093 4/20 0.46
F10 P00742 1/20 0.43
AKR1C3 P42330 1/20 0.43
PGR P06401 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
F3 P13726 1/20 0.41
PLAU P00749 1/20 0.41
GPR27 Q9NS67 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6294700 0.95 PRSS1 (0.55) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7155325 0.94 F2 (0.47) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7154778 0.93 PLA2G7 (0.46) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7150780 0.91 PRSS1 (0.55) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7151200 0.90 PRSS1 (0.50) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6300651 0.90 PRSS1 (0.51) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL6300737 0.90 BRD4 (0.45) F2TMPRSS6F10F3
Trifluoroacetic Acid SCHEMBL7157233 0.90 PRSS1 (0.55) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6294964 0.88 F2 (0.48) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7153962 0.88 F2 (0.51) PRSS1PRSS2PRSS3ST14F2

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-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed