Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20140050

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1(C(=O)O)CCN(c2ccccc2C#N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.46
RPTOR Q8N122 7/20 0.46
MLST8 Q9BVC4 7/20 0.46
ALDH1A1 P00352 1/20 0.39
DRD4 P21917 3/20 0.39
DPP4 P27487 1/20 0.39
PARP1 P09874 1/20 0.38
NAMPT P43490 1/20 0.38
GRM5 P41594 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
AR P10275 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL20156796 0.95 MTOR (0.47) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20140052 0.88 MTOR (0.45) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20157437 0.84 MTOR (0.45) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20156795 0.83 MTOR (0.49) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20142053 0.81 MTOR (0.43) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20156841 0.80 DRD4 (0.51) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20142054 0.79 MTOR (0.45) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20140200 0.78 MTOR (0.59) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20140695 0.77 MTOR (0.51) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20156949 0.76 MTOR (0.54) MTORRPTORMLST8ALDH1A1DRD4

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed