Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20141845

Cc1cc(C)c(C(=O)N2CCN(c3cncc4cn[nH]c34)CC2)cc1CN1CCN(c2ccccc2C#N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.61
RPTOR Q8N122 9/20 0.61
MLST8 Q9BVC4 9/20 0.61
CALCA P06881 1/20 0.40
PARP1 P09874 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TACR3 P29371 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
GPR6 P46095 3/20 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
SCHEMBL20157053 0.95 MTOR (0.64) MTORRPTORMLST8CALCAPARP1
SCHEMBL20156828 0.87 MTOR (0.54) MTORRPTORMLST8CALCAPARP1
SCHEMBL20140773 0.83 MTOR (0.49) MTORRPTORMLST8CALCAPARP1
SCHEMBL20140200 0.82 MTOR (0.59) MTORRPTORMLST8PARP1ALDH1A1
Trifluoroacetic Acid SCHEMBL20140582 0.81 MTOR (0.45) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20157274 0.80 MTOR (0.49) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140235 0.80 MTOR (0.67) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20140824 0.80 MTOR (0.67) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20133638 0.79 MTOR (0.77) MTORRPTORMLST8CALCAPARP1
SCHEMBL20141543 0.79 MTOR (0.54) MTORRPTORMLST8PARP1HTT

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