Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6981001

Cn1cc(-n2c(-c3cn(Cc4cccc(CN)c4)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 10/20 0.41
SIRT2 Q8IXJ6 1/20 0.36
PRKCB P05771 2/20 0.36
PRKCA P17252 2/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
PIM1 P11309 1/20 0.35
CAMK2D Q13557 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 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
Trifluoroacetic Acid SCHEMBL6986763 0.95 TPSAB1 (0.38) TPSAB1SIRT2PRKCBPRKCAPRKCH
SCHEMBL6974638 0.93 PRKCB (0.40) SIRT2PRKCBPRKCAPRKCHPRKCE
Trifluoroacetic Acid SCHEMBL6978586 0.90 F10 (0.40) SIRT2PRKCBPRKCAPRKCHPRKCE
Trifluoroacetic Acid SCHEMBL6985520 0.89 PIM1 (0.36) TPSAB1PIM1CAMK2D
Trifluoroacetic Acid SCHEMBL6984982 0.87 TPSAB1 (0.40) TPSAB1CAMK2DCA12CA1CA2
SCHEMBL6980594 0.87 PIM1 (0.41) SIRT2PRKCBPRKCAPRKCHPRKCE
Trifluoroacetic Acid SCHEMBL6977475 0.87 CAMK2D (0.48) PIM1CAMK2D
Trifluoroacetic Acid SCHEMBL6982808 0.86 CAMK2D (0.46) SIRT2PRKCBPRKCAPRKCHPRKCE
Trifluoroacetic Acid SCHEMBL6977279 0.83 CAMK2D (0.41) SIRT2PRKCBPRKCAPRKCHPRKCE
SCHEMBL7674311 0.83 F10 (0.42) SIRT2PRKCBPRKCAPRKCHPRKCE

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-1095039-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP disclosed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed