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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5813071

N#Cc1nc(CCCNC2CCCCC2)cc(C2CCCCCC2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 16/20 0.54
▸ CTSS P25774 6/20 0.54
▸ KCNH2 Q12809 7/20 0.53
▸ CTSL P07711 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ CXCR4 P61073 1/20 0.38
▸ TAAR1 Q96RJ0 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
SCHEMBL5798433 0.89 CTSK (0.66) CTSKCTSSKCNH2CXCR4
Trifluoroacetic Acid SCHEMBL5809517 0.85 CTSK (0.49) CTSKCTSSKCNH2CTSLCYP1A2
Trifluoroacetic Acid SCHEMBL5799096 0.83 CTSK (0.80) CTSKCTSSKCNH2CTSBCYP3A4
SCHEMBL5798709 0.76 CTSK (0.71) CTSKCTSSKCNH2CTSB
SCHEMBL4448011 0.75 CTSK (0.70) CTSKCTSSKCNH2CTSLCYP1A2
SCHEMBL4451839 0.75 CTSK (0.70) CTSKCTSSKCNH2CTSLCYP1A2
SCHEMBL5795402 0.74 CTSK (0.58) CTSKCTSSKCNH2CTSL
SCHEMBL4448466 0.74 CTSK (0.71) CTSKCTSSKCNH2CTSLCYP1A2
SCHEMBL5796222 0.72 CTSK (0.79) CTSKCTSSKCNH2CTSB
SCHEMBL5795318 0.72 CTSK (0.79) CTSKCTSSKCNH2CTSB

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
WO-2006040300-A1 4-CYCLOALKYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2006-04-20 — — WO disclosed