Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15568833

O=C(CC1CCCCC1)N1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.64
▸ GAA P10253 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ SSTR5 P35346 8/20 0.61
▸ KCNH2 Q12809 6/20 0.56
▸ NR4A2 P43354 2/20 0.56
▸ HRH1 P35367 5/20 0.53
▸ HRH4 Q9H3N8 2/20 0.53
▸ CYP2D6 P10635 3/20 0.51
▸ EED O75530 2/20 0.51
▸ CHRM1 P11229 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MLNR O43193 1/20 0.51
▸ CACNA1F O60840 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ HLA-A P04439 1/20 0.51
▸ ERBB2 P04626 1/20 0.51
▸ TP53 P04637 1/20 0.51

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
SCHEMBL15567414 0.95 LMNA (0.69) LMNAGAAALDH1A1SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL15568537 0.85 SSTR5 (0.62) LMNAGAAALDH1A1SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL15569147 0.84 SSTR5 (0.64) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL26350295 0.80 KCNH2 (0.79) LMNAGAAALDH1A1SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL15568451 0.80 SSTR5 (0.66) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL15567158 0.80 HRH1 (0.64) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL15568207 0.80 SSTR5 (0.69) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL11486753 0.78 SSTR5 (0.73) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL6995354 0.78 LMNA (0.71) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL25415274 0.78 LMNA (1.00) LMNAGAAALDH1A1SSTR5KCNH2

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-2014027053-A1 BENZIMIDAZOLES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-02-20 — — WO disclosed
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