SCHEMBL20156838

SCHEMBL20156838

C=C(c1cc(CN2CCN(c3cc(F)c(F)c(F)c3C#N)CC2)c(C)cc1C)N1CCN(c2cc(F)c(F)c(F)c2C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MTOR P42345 4/20 0.35
RPTOR Q8N122 4/20 0.35
MLST8 Q9BVC4 4/20 0.35
HTT P42858 5/20 0.35
MAPT P10636 3/20 0.34
GPR6 P46095 2/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL20140151 0.88 MTOR (0.41) ALDH1A1MTORRPTORMLST8HTT
SCHEMBL20140317 0.82 MTOR (0.49) ALDH1A1MTORRPTORMLST8HTT
SCHEMBL20141545 0.82 MTOR (0.49) ALDH1A1MTORRPTORMLST8HTT
SCHEMBL20156836 0.78 MTOR (0.42) ALDH1A1MTORRPTORMLST8KDM4E
SCHEMBL20156993 0.75 MTOR (0.37) ALDH1A1MTORRPTORMLST8HTT
SCHEMBL20140350 0.74 MTOR (0.54) ALDH1A1MTORRPTORMLST8HTT
SCHEMBL20140147 0.71 MTOR (0.47) ALDH1A1MTORRPTORMLST8MAPT
SCHEMBL20156915 0.70 LMNA (0.33) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL20141003 0.70 MTOR (0.54) ALDH1A1MTORRPTORMLST8HTT
SCHEMBL20140926 0.70 MTOR (0.54) ALDH1A1MTORRPTORMLST8HTT

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