SCHEMBL20140027

SCHEMBL20140027

COC(=O)CN(Cc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)c(C)cc1C)C(=O)CNc1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.44
RPTOR Q8N122 6/20 0.44
MLST8 Q9BVC4 6/20 0.44
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
GAA P10253 2/20 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
SCHEMBL20140029 0.83 MTOR (0.44) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20139899 0.79 MTOR (0.48) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20140200 0.74 MTOR (0.59) MTORRPTORMLST8ALDH1A1THRB
SCHEMBL20141637 0.74 MTOR (0.54) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140695 0.73 MTOR (0.51) MTORRPTORMLST8ALDH1A1THRB
SCHEMBL20140753 0.73 MTOR (0.52) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20141464 0.73 MTOR (0.56) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20157437 0.72 MTOR (0.45) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20140470 0.72 MTOR (0.56) MTORRPTORMLST8ALDH1A1POLB
SCHEMBL20157228 0.72 MTOR (0.56) MTORRPTORMLST8ALDH1A1POLB

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