SCHEMBL20140531

SCHEMBL20140531

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CN1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.49
RPTOR Q8N122 4/20 0.49
MLST8 Q9BVC4 4/20 0.49
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
CHRM4 P08173 1/20 0.40
AVPR1A P37288 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TRPA1 O75762 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL20140608 0.88 MTOR (0.56) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20140023 0.85 MTOR (0.61) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20139966 0.85 MTOR (0.61) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20156921 0.84 MTOR (0.51) MTORRPTORMLST8AVPR1ADRD2
SCHEMBL20157035 0.82 NPC1 (0.46) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20141890 0.82 MTOR (0.51) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20140558 0.82 MTOR (0.51) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20139946 0.81 MTOR (0.48) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20140751 0.81 MTOR (0.60) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20156794 0.80 MTOR (0.54) MTORRPTORMLST8DRD2HTR2A

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