SCHEMBL20142818

SCHEMBL20142818

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.45
MTOR P42345 5/20 0.43
RPTOR Q8N122 5/20 0.43
MLST8 Q9BVC4 5/20 0.43
GFER P55789 2/20 0.39
ATM Q13315 1/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CHRM4 P08173 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.35
DRD4 P21917 1/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL20140280 1.00 GRM1 (0.45) GRM1MTORRPTORMLST8GFER
SCHEMBL20142669 0.89 MTOR (0.50) GRM1MTORRPTORMLST8GFER
SCHEMBL20142672 0.89 MTOR (0.50) GRM1MTORRPTORMLST8GFER
SCHEMBL20141878 0.88 MTOR (0.44) GRM1MTORRPTORMLST8GFER
SCHEMBL20139885 0.88 MTOR (0.44) GRM1MTORRPTORMLST8GFER
SCHEMBL20140827 0.87 MTOR (0.51) MTORRPTORMLST8GFERATM
SCHEMBL20140629 0.87 CHRM2 (0.49) GRM1MTORRPTORMLST8MAPT
SCHEMBL20140709 0.86 GRM1 (0.50) GRM1MTORRPTORMLST8CHRM4
SCHEMBL20142060 0.86 GRM1 (0.50) GRM1MTORRPTORMLST8CHRM4
SCHEMBL20140914 0.86 MTOR (0.47) GRM1MTORRPTORMLST8ALDH1A1

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