SCHEMBL20157349

SCHEMBL20157349

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C=O)CC2)cc1CN1CCN(c2ncccc2I)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
MTOR P42345 3/20 0.40
RPTOR Q8N122 3/20 0.40
MLST8 Q9BVC4 3/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FABP6 P51161 1/20 0.38
APP P05067 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ENPP2 Q13822 1/20 0.37
GRIN2B Q13224 1/20 0.36
NR2F2 P24468 1/20 0.36

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 0.93 NPC1 (0.42) NPC1MTORRPTORMLST8SMN1; SMN2
SCHEMBL20157078 0.85 MYC (0.47) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL20157035 0.83 NPC1 (0.46) NPC1MTORRPTORMLST8LMNA
SCHEMBL20157303 0.83 MTOR (0.42) NPC1MTORRPTORMLST8LMNA
SCHEMBL20140323 0.80 KDM4E (0.54) MTORRPTORMLST8ALDH1A1
SCHEMBL20156994 0.80 KDM4E (0.54) MTORRPTORMLST8ALDH1A1
SCHEMBL20156914 0.77 MYC (0.46) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL20157082 0.77 MYC (0.54) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL20140023 0.77 MTOR (0.61) MTORRPTORMLST8ALDH1A1ENPP2
SCHEMBL20139966 0.77 MTOR (0.61) MTORRPTORMLST8ALDH1A1ENPP2

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