Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7154050

N=C(N)c1ccc2cc(Oc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3C(=O)O)ccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.53
ST14 Q9Y5Y6 4/20 0.53
PRSS1 P07477 3/20 0.53
PRSS2 P07478 3/20 0.53
PRSS3 P35030 3/20 0.53
MRGPRX1 Q96LB2 2/20 0.48
F10 P00742 1/20 0.44
PLA2G7 Q13093 3/20 0.43
MCL1 Q07820 1/20 0.43
PTPN1 P18031 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TMPRSS6 Q8IU80 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 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
Trifluoroacetic Acid SCHEMBL7158701 0.93 F2 (0.53) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7153324 0.92 F2 (0.48) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7157233 0.91 PRSS1 (0.55) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7148990 0.89 PLA2G7 (0.46) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7158713 0.88 F2 (0.48) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7155325 0.87 F2 (0.47) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7151221 0.86 ST14 (0.62) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7153927 0.85 F2 (0.49) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7153672 0.84 F2 (0.47) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7150780 0.84 PRSS1 (0.55) F2ST14PRSS1PRSS2PRSS3

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