SCHEMBL20139936

SCHEMBL20139936

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2cccnn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.46
RPTOR Q8N122 6/20 0.46
MLST8 Q9BVC4 6/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.45
SLC6A7 Q99884 1/20 0.44
GFER P55789 1/20 0.44
HTT P42858 2/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.40
REV1 Q9UBZ9 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
SCHEMBL20139969 0.84 MTOR (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140827 0.84 MTOR (0.51) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156928 0.82 MTOR (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20141458 0.81 MTOR (0.65) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20141002 0.80 MCL1 (0.46) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156930 0.79 MTOR (0.46) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20142111 0.76 MTOR (0.57) MTORRPTORMLST8ALDH1A1GFER
SCHEMBL20140606 0.76 MTOR (0.44) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20141464 0.76 MTOR (0.56) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140576 0.75 MTOR (0.48) MTORRPTORMLST8KDM4EALDH1A1

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