SCHEMBL20157437

SCHEMBL20157437

CCOC(=O)C1(Cc2cc(C(=O)N3CCN(c4ccccc4C#N)CC3)c(C)cc2C)CCN(c2ccccc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.45
RPTOR Q8N122 3/20 0.45
MLST8 Q9BVC4 3/20 0.45
RAB9A P51151 3/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD4 P21917 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL20139931 0.90 LMNA (0.43) RAB9ALMNANPC1ALDH1A1KMT2A
SCHEMBL20156796 0.89 MTOR (0.47) MTORRPTORMLST8ALDH1A1THRB
SCHEMBL20140052 0.88 MTOR (0.45) MTORRPTORMLST8RAB9ALMNA
SCHEMBL20141633 0.86 DRD4 (0.46) RAB9ALMNANPC1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL20140050 0.84 MTOR (0.46) MTORRPTORMLST8ALDH1A1THRB
SCHEMBL20156795 0.84 MTOR (0.49) MTORRPTORMLST8ALDH1A1THRB
SCHEMBL20157436 0.84 ALDH1A1 (0.42) RAB9ALMNANPC1ALDH1A1KMT2A
SCHEMBL20157438 0.83 ALDH1A1 (0.41) RAB9ALMNANPC1ALDH1A1KMT2A
SCHEMBL20142054 0.80 MTOR (0.45) MTORRPTORMLST8ALDH1A1THRB
SCHEMBL20140200 0.79 MTOR (0.59) MTORRPTORMLST8ALDH1A1KMT2A

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