SCHEMBL20139963

SCHEMBL20139963

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)C[C@@H]2C)cc1C(=O)N1CCN(c2ncccc2C#N)C[C@@H]1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.54
HSD11B1 P28845 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.41
AVPR1A P37288 1/20 0.40
MTOR P42345 2/20 0.40
RPTOR Q8N122 2/20 0.40
MLST8 Q9BVC4 2/20 0.40
IDH1 O75874 2/20 0.39
PANK3 Q9H999 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
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A7 Q99884 2/20 0.38

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
SCHEMBL20140861 0.91 GRM1 (0.51) GRM1HSD11B1KDM4EALDH1A1TDP1
SCHEMBL20140709 0.87 GRM1 (0.50) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20142060 0.87 GRM1 (0.50) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20141549 0.84 GRM1 (0.49) GRM1HSD11B1KDM4EALDH1A1TDP1
SCHEMBL20141184 0.83 GRM1 (0.47) GRM1HSD11B1KDM4EALDH1A1TDP1
SCHEMBL20140644 0.78 GRM1 (0.42) GRM1HSD11B1KDM4EALDH1A1TDP1
SCHEMBL20141860 0.78 GRM1 (0.47) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20141266 0.78 GRM1 (0.51) GRM1HSD11B1KDM4EALDH1A1TDP1
SCHEMBL20142471 0.76 DRD2 (0.42) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20142472 0.76 DRD2 (0.42) GRM1HSD11B1MTORRPTORMLST8

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