SCHEMBL20141811

SCHEMBL20141811

Cc1ccc(N2CCN(C(=O)c3cc(CN4CCN(c5ncccc5Cl)CC4)ccc3C)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MTOR P42345 1/20 0.44
RPTOR Q8N122 1/20 0.44
MLST8 Q9BVC4 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
CHRM4 P08173 1/20 0.44
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.42
PHGDH O43175 1/20 0.41

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
SCHEMBL20140645 0.93 PPARG (0.49) PPARGPPARAMTORRPTORMLST8
SCHEMBL20141929 0.92 PPARG (0.47) PPARGMTORRPTORMLST8ALDH1A1
SCHEMBL20140812 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDCHRM4
SCHEMBL20157329 0.90 PPARA (0.49) PPARAMTORRPTORMLST8ALDH1A1
SCHEMBL20140429 0.86 MTOR (0.48) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20141948 0.84 SMN1; SMN2 (0.51) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL20141688 0.84 MTOR (0.48) MTORRPTORMLST8KDM4ELMNA
SCHEMBL20157304 0.82 MTOR (0.47) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20141357 0.82 MTOR (0.43) MTORRPTORMLST8CHRM4CYP46A1
SCHEMBL20140664 0.82 MTOR (0.57) 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