SCHEMBL20140608

SCHEMBL20140608

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CN1CCN(c2ncccc2C#N)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.56
RPTOR Q8N122 7/20 0.56
MLST8 Q9BVC4 7/20 0.56
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DRD2 P14416 3/20 0.44
HTR2A P28223 2/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
PARP1 P09874 4/20 0.42
PARP2 Q9UGN5 3/20 0.42
PARP3 Q9Y6F1 3/20 0.42
TNKS O95271 1/20 0.41
PARP6 Q2NL67 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL20140323 0.91 KDM4E (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140558 0.91 MTOR (0.51) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20141890 0.91 MTOR (0.51) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156994 0.91 KDM4E (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140797 0.89 KDM4E (0.58) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156794 0.89 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140531 0.88 MTOR (0.49) MTORRPTORMLST8ALDH1A1CA12
SCHEMBL20140023 0.85 MTOR (0.61) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20139966 0.85 MTOR (0.61) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140828 0.84 MTOR (0.52) MTORRPTORMLST8KDM4EALDH1A1

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