SCHEMBL20149839

SCHEMBL20149839

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.65
RPTOR Q8N122 8/20 0.65
MLST8 Q9BVC4 8/20 0.65
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.39
CFTR P13569 1/20 0.38
FASN P49327 2/20 0.38
HDAC2 Q92769 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MLNR O43193 1/20 0.38
PANK3 Q9H999 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL20149789 1.00 MTOR (0.65) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20150210 0.93 MTOR (0.64) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL22186830 0.91 MTOR (0.68) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20149685 0.88 MTOR (0.79) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL22187978 0.88 MTOR (0.69) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL21360382 0.88 MTOR (0.67) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20150036 0.87 MTOR (0.73) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL22693277 0.86 MTOR (0.65) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL22693183 0.86 MTOR (0.67) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20133739 0.86 MTOR (0.78) 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