SCHEMBL28697175

SCHEMBL28697175

CC(C)(C)OC(=O)NCCc1cc(F)c(N2CCN(C(=O)OCc3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
NAMPT P43490 1/20 0.41
BACE1 P56817 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GRM5 P41594 1/20 0.39
LMNA P02545 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
P2RY12 Q9H244 1/20 0.39
DRD2 P14416 1/20 0.39
SYK P43405 1/20 0.39
SLC2A1 P11166 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL28698227 0.86 MAPT (0.48) SIGMAR1NAMPTBACE1MEN1KMT2A
SCHEMBL28683481 0.85 PDK1 (0.39) SIGMAR1NPSR1MAPTALDH1A1LMNA
SCHEMBL21591743 0.81 SIGMAR1 (0.48) SIGMAR1NAMPTBACE1MEN1KMT2A
SCHEMBL19211125 0.81 SIGMAR1 (0.52) SIGMAR1NAMPTMEN1KMT2ANPSR1
SCHEMBL21457818 0.80 BACE1 (0.48) BACE1MEN1KMT2ANPSR1HTT
SCHEMBL28682343 0.79 SIGMAR1 (0.44) SIGMAR1NAMPTBACE1MEN1KMT2A
SCHEMBL28683499 0.79 BACE1 (0.47) BACE1MEN1KMT2ANPSR1MAPT
SCHEMBL2449157 0.77 BACE1 (0.50) NAMPTBACE1MEN1KMT2A
SCHEMBL20140730 0.76 SIGMAR1 (0.43) SIGMAR1NAMPTBACE1MEN1KMT2A
SCHEMBL19212401 0.76 P2RY12 (0.54) BACE1MEN1KMT2AP2RY12SLC2A1

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
CN-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed