Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6979873

N=C1CCCCC(C(CN)c2ccccc2)N1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
SLC6A3 Q01959 5/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 3/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PREP P48147 2/20 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
SCHEMBL6969217 0.89 SLC6A2 (0.36) MEN1KMT2ASLC6A3SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL6982053 0.86 HTR5A (0.30)
Trifluoroacetic Acid SCHEMBL6981240 0.85 ALDH1A1 (0.41) MEN1KMT2AKDM4ENPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL6977922 0.84 CYP1A2 (0.34) F2PRSS1
Trifluoroacetic Acid SCHEMBL6978462 0.83 MEN1 (0.39) MEN1KMT2AALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL6979209 0.81 DPP4 (0.43) DPP4DPP7SLC6A3SLC6A2SLC6A4
SCHEMBL6969450 0.79 MEN1 (0.38) MEN1KMT2ASLC6A3SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL9082735 0.79 EPHX1 (0.33) ALDH1A1
Trifluoroacetic Acid SCHEMBL6973149 0.76 DPP4 (0.36) DPP4DPP7SLC6A3SLC6A2SLC6A4
SCHEMBL6976764 0.74 MEN1 (0.46) MEN1KMT2ASLC6A3SLC6A2SLC6A4

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed