SCHEMBL20156844

SCHEMBL20156844

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1C=C1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.48
RPTOR Q8N122 7/20 0.48
MLST8 Q9BVC4 7/20 0.48
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
NAMPT P43490 1/20 0.38
GFER P55789 1/20 0.37
EED O75530 1/20 0.37
TACR3 P29371 1/20 0.37
DPP4 P27487 1/20 0.37
DRD4 P21917 1/20 0.37
PHGDH O43175 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL20140779 0.88 GRM1 (0.42) MTORRPTORMLST8DRD4MEN1
SCHEMBL20140827 0.82 MTOR (0.51) MTORRPTORMLST8GFERCTDSP1
SCHEMBL20140558 0.81 MTOR (0.51) MTORRPTORMLST8NAMPTTACR3
SCHEMBL20141890 0.81 MTOR (0.51) MTORRPTORMLST8NAMPTTACR3
SCHEMBL20141841 0.81 DRD4 (0.41) MTORRPTORMLST8DRD4PHGDH
SCHEMBL22187868 0.80 MTOR (0.57) MTORRPTORMLST8CA12CA1
SCHEMBL21360359 0.80 MTOR (0.71) MTORRPTORMLST8CA12CA1
SCHEMBL20142669 0.80 MTOR (0.50) MTORRPTORMLST8CA12CA1
SCHEMBL20133543 0.80 MTOR (0.62) MTORRPTORMLST8CA12CA1
SCHEMBL20142672 0.80 MTOR (0.50) MTORRPTORMLST8CA12CA1

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