SCHEMBL20139969

SCHEMBL20139969

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccc(F)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.49
RPTOR Q8N122 5/20 0.49
MLST8 Q9BVC4 5/20 0.49
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
ATM Q13315 1/20 0.44
GFER P55789 1/20 0.43
TNF P01375 1/20 0.42
RAB9A P51151 1/20 0.42
NOD1 Q9Y239 1/20 0.42
GPR183 P32249 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RET P07949 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL20139936 0.84 MTOR (0.46) MTORRPTORMLST8HTTGAA
SCHEMBL20141897 0.83 HTT (0.47) HTTGAATSHRKDM4EALDH1A1
SCHEMBL20156964 0.83 MTOR (0.49) MTORRPTORMLST8HTTKDM4E
SCHEMBL20157489 0.82 MTOR (0.49) MTORRPTORMLST8HTTKDM4E
SCHEMBL20140827 0.82 MTOR (0.51) MTORRPTORMLST8HTTGAA
SCHEMBL20141707 0.80 MTOR (0.47) MTORRPTORMLST8KDM4EPARP1
SCHEMBL20139934 0.80 PPARG (0.47) MTORRPTORMLST8HTTKDM4E
SCHEMBL20141892 0.80 PKM (0.47) GAATSHRKDM4EALDH1A1TNF
SCHEMBL20141002 0.79 MCL1 (0.46) MTORRPTORMLST8HTTGAA
SCHEMBL20157050 0.78 MTOR (0.55) MTORRPTORMLST8HTTKDM4E

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