Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20142573

Cc1c(CN2CCN(c3ccccc3CCCN)CC2)cc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)n1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.55
▸ RPTOR Q8N122 5/20 0.55
▸ MLST8 Q9BVC4 5/20 0.55
▸ CHRM4 P08173 8/20 0.39
▸ SCD5 Q86SK9 1/20 0.38
▸ CHRM2 P08172 6/20 0.37
▸ CHRM1 P11229 5/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM3 P20309 1/20 0.36

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 SCHEMBL20141728 1.00 MTOR (0.55) MTORRPTORMLST8CHRM4SCD5
SCHEMBL20159033 0.95 MTOR (0.57) MTORRPTORMLST8CHRM4SCD5
SCHEMBL20159032 0.95 MTOR (0.57) MTORRPTORMLST8CHRM4SCD5
SCHEMBL20159083 0.95 MTOR (0.57) MTORRPTORMLST8CHRM4SCD5
Trifluoroacetic Acid SCHEMBL20139319 0.88 MTOR (0.62) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20140150 0.86 MTOR (0.57) MTORRPTORMLST8CHRM4SCD5
SCHEMBL20159096 0.83 MTOR (0.60) MTORRPTORMLST8
SCHEMBL20139264 0.83 MTOR (0.52) MTORRPTORMLST8CHRM4SCD5
SCHEMBL20139828 0.83 MTOR (0.49) MTORRPTORMLST8SCD5
SCHEMBL20139606 0.82 MTOR (0.65) MTORRPTORMLST8CHRM4CHRM2

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed