Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1380171

CCCCS(=O)(=O)Nc1cc2cccnc2c(N2CCNCC2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ RAD52 P43351 2/20 0.43
▸ UBE2N P61088 2/20 0.43
▸ HRH4 Q9H3N8 2/20 0.40
▸ PRKD1 Q15139 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ APAF1 O14727 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ CASP6 P55212 2/20 0.38
▸ CASP8 Q14790 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ CASP9 P55211 1/20 0.38
▸ PIK3CD O00329 2/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ HRH1 P35367 3/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35

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
SCHEMBL3619544 0.92 PRKD1 (0.44) HRH4PRKD1HRH1KCNH2FLT3
Trifluoroacetic Acid SCHEMBL1380515 0.80 RAD52 (0.43) L3MBTL1RAD52UBE2NPRKD1SLC2A1
Trifluoroacetic Acid SCHEMBL1381621 0.80 SLC40A1 (0.52) L3MBTL1RAD52UBE2NPRKD1HTR6
Trifluoroacetic Acid SCHEMBL1380631 0.80 HTR6 (0.45) L3MBTL1RAD52UBE2NHRH4PRKD1
SCHEMBL1380902 0.79 GLO1 (0.51) PRKD1HTR1ADRD2HTR7HTR6
Trifluoroacetic Acid SCHEMBL1379813 0.79 HTR6 (0.47) HTR6
Trifluoroacetic Acid SCHEMBL6047104 0.78 SLC40A1 (0.47) L3MBTL1RAD52UBE2NHRH4PRKD1
SCHEMBL7045566 0.77 PRKD1 (0.49) PRKD1EPHX2HTR1ADRD2HTR7
SCHEMBL1380174 0.76 RAD52 (0.36) L3MBTL1RAD52UBE2NPRKD1PIK3CD
SCHEMBL7045097 0.75 SLC40A1 (0.49) PRKD1HTR1ADRD2HTR7HTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 — — 2011-07-20 — — JP claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 — — EP claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 — — WO claimed
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