SCHEMBL20139909

SCHEMBL20139909

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccc2S(C)(=O)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MTOR P42345 4/20 0.47
RPTOR Q8N122 4/20 0.47
MLST8 Q9BVC4 4/20 0.47
EED O75530 1/20 0.45
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
DRD2 P14416 3/20 0.43
PARP1 P09874 1/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD4 P21917 4/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL20140044 0.92 MTOR (0.54) MTORRPTORMLST8ALDH1A1NPSR1
SCHEMBL20157119 0.89 MTOR (0.42) LMNAMTORRPTORMLST8EED
SCHEMBL20140884 0.88 MTOR (0.51) LMNAMTORRPTORMLST8EED
SCHEMBL20156931 0.87 MTOR (0.51) MTORRPTORMLST8ALDH1A1NPSR1
SCHEMBL20140587 0.84 MTOR (0.54) LMNAMTORRPTORMLST8ALDH1A1
SCHEMBL20140693 0.84 HCRTR1 (0.49) MTORRPTORMLST8ALDH1A1NPSR1
SCHEMBL20140600 0.83 KDM4E (0.54) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20139930 0.83 MTOR (0.53) LMNAMTORRPTORMLST8ALDH1A1
SCHEMBL20140716 0.83 MTOR (0.53) MTORRPTORMLST8ALDH1A1NPSR1
SCHEMBL20157539 0.82 MTOR (0.46) LMNAMTORRPTORMLST8ALDH1A1

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