SCHEMBL20157034

SCHEMBL20157034

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
MTOR P42345 3/20 0.41
RPTOR Q8N122 3/20 0.41
MLST8 Q9BVC4 3/20 0.41
FABP6 P51161 1/20 0.41
APP P05067 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KRAS P01116 1/20 0.40
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AVPR1A P37288 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MYC P01106 1/20 0.38

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
SCHEMBL20157349 0.93 NPC1 (0.41) NPC1MTORRPTORMLST8FABP6
SCHEMBL20157035 0.91 NPC1 (0.46) NPC1MTORRPTORMLST8FABP6
SCHEMBL20157078 0.89 MYC (0.47) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL20157303 0.87 MTOR (0.42) NPC1MTORRPTORMLST8FABP6
SCHEMBL20156994 0.82 KDM4E (0.54) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140323 0.82 KDM4E (0.54) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20157082 0.81 MYC (0.54) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL20156914 0.81 MYC (0.46) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL20139966 0.79 MTOR (0.61) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140023 0.79 MTOR (0.61) 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