SCHEMBL28935680

SCHEMBL28935680

CC(=O)Cc1cn(C(=O)OC(C)(C)C)c2sccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
HTR6 P50406 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
BCHE P06276 1/20 0.35
EPHX1 P07099 1/20 0.34
BUB1 O43683 1/20 0.33
AKR1C3 P42330 2/20 0.32
PDE10A Q9Y233 1/20 0.31
PIM1 P11309 1/20 0.30
MARK3 P27448 1/20 0.30
MAP4K2 Q12851 1/20 0.30
CAMK2B Q13554 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
DTYMK P23919 2/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL12631148 0.90 PTGDR2 (0.48) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL1990987 0.89 L3MBTL1 (0.45) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL1995369 0.88 L3MBTL1 (0.49) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL1998282 0.85 L3MBTL1 (0.65) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL11948700 0.83 L3MBTL1 (0.43) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL28935632 0.81 HTR6 (0.39) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL28935614 0.80 L3MBTL1 (0.46) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL28935728 0.79 L3MBTL1 (0.41) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL12572728 0.76 L3MBTL1 (0.73) L3MBTL1HTR6BCHEEPHX1PDE10A
SCHEMBL12631144 0.75 BCHE (0.36) L3MBTL1HTR6BCHEBUB1

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-115611895-A Arylamino derivative estrogen receptor modulators and uses thereof 四川海思科制药有限公司 2023-01-17 CN disclosed