SCHEMBL20150210

SCHEMBL20150210

Cc1cc(C)c(C(=O)N2CCN(c3ncccc3[S+](N)[O-])CC2)cc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.64
RPTOR Q8N122 8/20 0.64
MLST8 Q9BVC4 8/20 0.64
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CFTR P13569 1/20 0.38
FASN P49327 2/20 0.38
HDAC2 Q92769 1/20 0.37
MLNR O43193 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PANK3 Q9H999 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 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
SCHEMBL20149839 0.93 MTOR (0.65) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20149789 0.93 MTOR (0.65) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL21360382 0.89 MTOR (0.67) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20149685 0.88 MTOR (0.79) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL22693277 0.87 MTOR (0.65) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL22187978 0.87 MTOR (0.69) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL21360324 0.87 MTOR (0.76) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20150036 0.86 MTOR (0.73) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL22693210 0.86 MTOR (0.64) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL22693183 0.86 MTOR (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed