SCHEMBL20140052

SCHEMBL20140052

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1(C(=O)OC(=O)C(F)(F)F)CCN(c2ccccc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.45
RPTOR Q8N122 8/20 0.45
MLST8 Q9BVC4 8/20 0.45
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PARP1 P09874 1/20 0.37
DRD4 P21917 2/20 0.37
DPP4 P27487 1/20 0.37
NAMPT P43490 1/20 0.37
GRM5 P41594 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL20140050 0.88 MTOR (0.46) MTORRPTORMLST8THRBALDH1A1
SCHEMBL20157437 0.88 MTOR (0.45) MTORRPTORMLST8THRBLMNA
SCHEMBL20156796 0.85 MTOR (0.47) MTORRPTORMLST8THRBALDH1A1
SCHEMBL20156795 0.81 MTOR (0.49) MTORRPTORMLST8THRBALDH1A1
SCHEMBL20142054 0.79 MTOR (0.45) MTORRPTORMLST8THRBALDH1A1
SCHEMBL20139931 0.78 LMNA (0.43) LMNARAB9AALDH1A1DRD4DRD2
SCHEMBL20142053 0.77 MTOR (0.43) MTORRPTORMLST8THRBALDH1A1
SCHEMBL20140200 0.76 MTOR (0.59) MTORRPTORMLST8THRBALDH1A1
SCHEMBL20140695 0.75 MTOR (0.51) MTORRPTORMLST8THRBALDH1A1
SCHEMBL20140753 0.74 MTOR (0.52) MTORRPTORMLST8ALDH1A1DRD4

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