Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4022931

Cc1cn(S(=O)(=O)c2ccccc2)c2cccc(C(C)(C)N)c12.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FABP4 P15090 2/20 0.40
PLK1 P53350 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TPSAB1 Q15661 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
TNF P01375 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL13504568 0.92 HTR6 (0.48) HTR6LMNASMN1; SMN2PLK1DRD2
Trifluoroacetic Acid SCHEMBL4020079 0.83 HTR6 (0.55) HTR6LMNAFABP4MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3617242 0.78 HTR6 (0.55) HTR6LMNASMN1; SMN2TNFDRD2
Trifluoroacetic Acid SCHEMBL4020301 0.77 FABP4 (0.56) HTR6FABP4
Trifluoroacetic Acid SCHEMBL3621154 0.76 HTR6 (0.56) HTR6
Trifluoroacetic Acid SCHEMBL4018381 0.75 HTR6 (0.48) HTR6LMNA
Trifluoroacetic Acid SCHEMBL743223 0.72 HTR6 (0.53) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL4785309 0.72 HTR6 (0.43) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL3619076 0.72 HTR6 (0.52) HTR6LMNASMN1; SMN2PLK1MEN1
Trifluoroacetic Acid SCHEMBL5874682 0.70 KDM4E (0.41) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed