Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7011017

NCCCn1cc(-c2c[nH]c(=O)n2-c2c[nH]c3ccccc23)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 14/20 0.54
PRKACA P17612 4/20 0.54
PRKACG P22612 4/20 0.54
PRKACB P22694 4/20 0.54
RPS6KB1 P23443 1/20 0.53
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
PIM1 P11309 2/20 0.43
MEN1 O00255 1/20 0.41
PRKD3 O94806 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
TP53 P04637 1/20 0.41
PRKCG P05129 1/20 0.41
CYP1A2 P05177 1/20 0.41
PRKCB P05771 1/20 0.41
CDK1 P06493 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL7007889 0.92 CAMK2D (0.62) CAMK2DPRKACAPRKACGPRKACBRPS6KB1
Trifluoroacetic Acid SCHEMBL6983051 0.87 CAMK2D (0.46) CAMK2DPRKACAPRKACGPRKACBRPS6KB1
Trifluoroacetic Acid SCHEMBL7009849 0.87 CAMK2D (0.51) CAMK2DPRKACAPRKACGPRKACBRPS6KB1
Trifluoroacetic Acid SCHEMBL7008461 0.86 CAMK2D (0.49) CAMK2DPRKACAPRKACGPRKACBRPS6KB1
Trifluoroacetic Acid SCHEMBL6985276 0.86 CAMK2D (0.49) CAMK2DPRKACAPRKACGPRKACBRPS6KB1
Trifluoroacetic Acid SCHEMBL7006503 0.85 TPSAB1 (0.43) CAMK2DPRKACAPRKACGPRKACBRPS6KB1
SCHEMBL7009039 0.83 PRKACA (0.62) CAMK2DPRKACAPRKACGPRKACBRPS6KB1
Trifluoroacetic Acid SCHEMBL6984540 0.83 CAMK2D (0.46) CAMK2DPRKACAPRKACGPRKACBRPS6KB1
Trifluoroacetic Acid SCHEMBL7007891 0.83 CAMK2D (0.49) CAMK2DPRKACAPRKACGPRKACBRPS6KB1
Trifluoroacetic Acid SCHEMBL6986094 0.81 PRKACA (0.45) CAMK2DPRKACAPRKACGPRKACBRPS6KB1

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
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP disclosed
US-6492409-B1 SUCH AS 5-(1-(3-AMINOPROPYL)-3-INDOLYL)-1-(3-INDOLYL)-1,3-DIHYDROIMIDAZOL-2-ONE; PROTEIN KINASE C INHIBITORS; HIGH SOLUBILITY; REDUCED COLOR; TREATING INFLAMMATORY AND/OR IMMUNOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
US-6337342-B1 ARYLIMIDAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-08 US disclosed