Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15569147

O=C(Nc1ccccc1)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
▸ SSTR5 P35346 8/20 0.64
▸ LMNA P02545 3/20 0.62
▸ GAA P10253 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ KCNH2 Q12809 6/20 0.60
▸ NR4A2 P43354 2/20 0.60
▸ HRH1 P35367 2/20 0.55
▸ HRH4 Q9H3N8 2/20 0.55
▸ EED O75530 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ MLNR O43193 1/20 0.55
▸ CACNA1F O60840 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ EGFR P00533 1/20 0.55

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
SCHEMBL15568207 0.96 SSTR5 (0.69) SSTR5LMNAGAAALDH1A1KCNH2
Trifluoroacetic Acid SCHEMBL15568833 0.84 LMNA (0.64) SSTR5LMNAGAAALDH1A1KCNH2
Trifluoroacetic Acid SCHEMBL15568451 0.82 SSTR5 (0.66) SSTR5LMNAGAAALDH1A1KCNH2
Trifluoroacetic Acid SCHEMBL15568537 0.82 SSTR5 (0.62) SSTR5LMNAGAAALDH1A1KCNH2
SCHEMBL10428789 0.80 SSTR5 (0.65) SSTR5LMNAGAAALDH1A1KCNH2
SCHEMBL6995354 0.80 LMNA (0.71) SSTR5LMNAGAAALDH1A1KCNH2
Hydrochloric Acid SCHEMBL10428786 0.79 SSTR5 (0.66) SSTR5LMNAGAAALDH1A1KCNH2
SCHEMBL15568462 0.79 CYP1A2 (0.75) LMNAGAAKCNH2HRH1MEN1
SCHEMBL10861376 0.79 SSTR5 (0.77) SSTR5LMNAGAAALDH1A1KCNH2
Hydrochloric Acid SCHEMBL1151914 0.79 SSTR5 (0.77) SSTR5LMNAGAAALDH1A1KCNH2

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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