SCHEMBL20140808

SCHEMBL20140808

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(C#N)cc3F)CC2)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.44
RPTOR Q8N122 2/20 0.44
MLST8 Q9BVC4 2/20 0.44
SLC6A9 P48067 4/20 0.41
SLC6A5 Q9Y345 1/20 0.41
ALDH1A1 P00352 7/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 5/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.39
TTR P02766 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CFTR P13569 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL20139953 0.84 CHRM2 (0.46) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20139868 0.84 MTOR (0.52) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20140694 0.82 MTOR (0.50) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20157344 0.77 MTOR (0.50) MTORRPTORMLST8SLC6A9SLC6A5
SCHEMBL20156938 0.76 MTOR (0.51) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20140684 0.76 MTOR (0.51) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20140350 0.74 MTOR (0.54) MTORRPTORMLST8SLC6A9SLC6A5
SCHEMBL20140663 0.74 SMN1; SMN2 (0.51) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20140583 0.74 CHRM2 (0.43) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20140314 0.74 CHRM2 (0.43) MTORRPTORMLST8ALDH1A1MAPT

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