SCHEMBL20140607

SCHEMBL20140607

Cc1cc(C)c(C(=S)N2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.54
RPTOR Q8N122 6/20 0.54
MLST8 Q9BVC4 6/20 0.54
PHGDH O43175 1/20 0.48
NAMPT P43490 1/20 0.48
GRM5 P41594 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TACR3 P29371 1/20 0.46

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
SCHEMBL20140344 0.91 PHGDH (0.48) MTORRPTORMLST8PHGDHNAMPT
SCHEMBL20156949 0.89 MTOR (0.54) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20141464 0.89 MTOR (0.56) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20140278 0.87 MTOR (0.54) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20139916 0.86 MTOR (0.54) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20140863 0.86 MTOR (0.54) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20140952 0.85 NAMPT (0.54) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20139868 0.84 MTOR (0.52) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20140833 0.83 MTOR (0.51) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20156950 0.82 MTOR (0.51) MTORRPTORMLST8NAMPTGRM5

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