SCHEMBL20140645

SCHEMBL20140645

Cc1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
HSD17B10 Q99714 2/20 0.46
MTOR P42345 1/20 0.44
RPTOR Q8N122 1/20 0.44
MLST8 Q9BVC4 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
CHRM4 P08173 1/20 0.44
TRPA1 O75762 1/20 0.43
ATM Q13315 1/20 0.43
AVPR1A P37288 1/20 0.43
PARP1 P09874 1/20 0.43
TNK2 Q07912 1/20 0.43

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
SCHEMBL20141811 0.93 PPARG (0.46) PPARGPPARAHSD17B10MTORRPTOR
SCHEMBL20141929 0.92 PPARG (0.47) PPARGHSD17B10MTORRPTORMLST8
SCHEMBL20140812 0.91 ALDH1A1 (0.56) HSD17B10MEN1MAPTKMT2AALDH1A1
SCHEMBL20157329 0.90 PPARA (0.49) PPARAHSD17B10MTORRPTORMLST8
SCHEMBL20140429 0.88 MTOR (0.48) MTORRPTORMLST8MEN1NPC1
SCHEMBL20141948 0.86 SMN1; SMN2 (0.51) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL20141688 0.84 MTOR (0.48) MTORRPTORMLST8MAPTKMT2A
SCHEMBL20157304 0.82 MTOR (0.47) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140585 0.82 PPARG (0.47) PPARGPPARDPPARAMTORRPTOR
SCHEMBL20141357 0.82 MTOR (0.43) MTORRPTORMLST8MEN1NPC1

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 2 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed