SCHEMBL20140730

SCHEMBL20140730

CC(C)(C)OC(=O)NCCc1cccc(C#N)c1N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
SYK P43405 1/20 0.41
NQO2 P16083 1/20 0.41
BACE1 P56817 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
HTT P42858 1/20 0.40
P2RX7 Q99572 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 1/20 0.39
P2RY12 Q9H244 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
SCHEMBL20157263 0.81 NQO2 (0.44) SIGMAR1NQO2NAMPT
SCHEMBL21591743 0.79 SIGMAR1 (0.48) SIGMAR1SYKBACE1TMEM97HTT
SCHEMBL19211125 0.79 SIGMAR1 (0.52) SIGMAR1SYKTMEM97HTTMEN1
SCHEMBL19212187 0.77 SIGMAR1 (0.46) SIGMAR1TMEM97HTTP2RX7MEN1
SCHEMBL28697175 0.76 SIGMAR1 (0.43) SIGMAR1SYKBACE1HTTMEN1
SCHEMBL514343 0.76 SIGMAR1 (0.61) SIGMAR1SYKHTTMEN1KMT2A
SCHEMBL20140683 0.76 MEN1 (0.48) SIGMAR1CTSSCTSLTMEM97MEN1
SCHEMBL19212437 0.76 SIGMAR1 (0.48) SIGMAR1TMEM97
SCHEMBL28698227 0.76 MAPT (0.48) SIGMAR1SYKBACE1HTTP2RX7
SCHEMBL28682343 0.74 SIGMAR1 (0.44) SIGMAR1SYKBACE1HTTP2RX7

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