SCHEMBL20139946

SCHEMBL20139946

Cc1cc(C)c(C(=O)N2CCN(c3cccnn3)CC2)cc1CN1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 1/20 0.45
SLC6A7 Q99884 1/20 0.43
GAA P10253 1/20 0.43
ENPP2 Q13822 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR4 Q13639 1/20 0.41
CHRM4 P08173 1/20 0.41
TRPA1 O75762 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 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
SCHEMBL20140751 0.84 MTOR (0.60) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20141516 0.83 MTOR (0.46) MTORRPTORMLST8ALDH1A1HSD17B10
SCHEMBL20140023 0.82 MTOR (0.61) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20139966 0.82 MTOR (0.61) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140531 0.81 MTOR (0.49) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20156928 0.80 MTOR (0.49) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140812 0.79 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL20157035 0.78 NPC1 (0.46) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140797 0.78 KDM4E (0.58) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20141466 0.78 MTOR (0.46) MTORRPTORMLST8ALDH1A1SLC6A7

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