SCHEMBL20157035

SCHEMBL20157035

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C)CC2)cc1CN1CCN(c2ncccc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
MYC P01106 1/20 0.46
FABP6 P51161 1/20 0.45
MTOR P42345 1/20 0.44
RPTOR Q8N122 1/20 0.44
MLST8 Q9BVC4 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
HTR7 P34969 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AVPR1A P37288 1/20 0.42

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
SCHEMBL20157034 0.91 NPC1 (0.42) NPC1MYCFABP6MTORRPTOR
SCHEMBL20157303 0.90 MTOR (0.42) NPC1MYCFABP6MTORRPTOR
SCHEMBL20157082 0.90 MYC (0.54) MYCALDH1A1MEN1KMT2AMAPT
SCHEMBL20156994 0.86 KDM4E (0.54) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20140323 0.86 KDM4E (0.54) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20157037 0.84 SLC6A7 (0.52) MYCMEN1KMT2AKDM4E
SCHEMBL20140023 0.83 MTOR (0.61) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20157349 0.83 NPC1 (0.41) NPC1FABP6MTORRPTORMLST8
SCHEMBL20139966 0.83 MTOR (0.61) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20140797 0.83 KDM4E (0.58) MTORRPTORMLST8ALDH1A1KDM4E

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