SCHEMBL20157255

SCHEMBL20157255

Cc1cccc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5C#N)CC4=O)ccc3C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.40
RPTOR Q8N122 3/20 0.40
MLST8 Q9BVC4 3/20 0.40
PARP1 P09874 2/20 0.40
CYP46A1 Q9Y6A2 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
CLK1 P49759 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PHGDH O43175 1/20 0.38
GBA1 P04062 7/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL20140096 0.90 PARP1 (0.45) MTORRPTORMLST8PARP1CYP46A1
SCHEMBL20156963 0.85 GBA1 (0.45) MTORRPTORMLST8PARP1PHGDH
SCHEMBL20140304 0.85 GBA1 (0.44) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140897 0.82 MTOR (0.45) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140648 0.82 PRMT5 (0.42) MTORRPTORMLST8CYP46A1ALDH1A1
SCHEMBL20140777 0.80 DRD4 (0.43) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140733 0.80 KDM4E (0.48) ALDH1A1KDM4ELMNAHPGD
SCHEMBL20141538 0.79 DRD4 (0.41) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140725 0.78 MTOR (0.47) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140044 0.77 MTOR (0.54) MTORRPTORMLST8PARP1ALDH1A1

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