SCHEMBL20140151

SCHEMBL20140151

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(F)c(F)c3C#N)CC2)cc1CN1CCN(c2cc(F)c(F)c(F)c2C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.41
RPTOR Q8N122 6/20 0.41
MLST8 Q9BVC4 6/20 0.41
ALDH1A1 P00352 8/20 0.41
HTT P42858 5/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 1/20 0.39
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL20141545 0.93 MTOR (0.49) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20140317 0.93 MTOR (0.49) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20156838 0.88 ALDH1A1 (0.39) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20140350 0.86 MTOR (0.54) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20140679 0.81 MTOR (0.51) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20140926 0.81 MTOR (0.54) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20141003 0.81 MTOR (0.54) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20141543 0.81 MTOR (0.54) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20140200 0.80 MTOR (0.59) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20141465 0.78 PARP1 (0.49) MTORRPTORMLST8ALDH1A1HTT

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 2 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed