SCHEMBL20156950

SCHEMBL20156950

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1SN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.51
RPTOR Q8N122 6/20 0.51
MLST8 Q9BVC4 6/20 0.51
ALDH1A1 P00352 2/20 0.46
NAMPT P43490 1/20 0.45
GRM5 P41594 1/20 0.43
TACR3 P29371 1/20 0.43
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
AR P10275 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL20157253 0.93 MTOR (0.46) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20157080 0.92 MTOR (0.51) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20157344 0.92 MTOR (0.50) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20157143 0.91 MTOR (0.45) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20141464 0.85 MTOR (0.56) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20140278 0.83 MTOR (0.54) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20156949 0.83 MTOR (0.54) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20140863 0.82 MTOR (0.54) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20139916 0.82 MTOR (0.54) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20140607 0.82 MTOR (0.54) MTORRPTORMLST8ALDH1A1NAMPT

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