SCHEMBL28935653

SCHEMBL28935653

CON(C)C(=O)Cc1cn(C(=O)OC(C)(C)C)c2ccsc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HTR6 P50406 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.34
EPHX1 P07099 1/20 0.33
FEN1 P39748 1/20 0.33
PDE10A Q9Y233 1/20 0.32
GPR119 Q8TDV5 4/20 0.32
BCHE P06276 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ADAM17 P78536 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
SCHEMBL28935743 0.85 PTGDR2 (0.40) PTGDR2FEN1ALDH1A1LMNA
SCHEMBL1992807 0.84 L3MBTL1 (0.49) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL28935624 0.83 PTGDR2 (0.48) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL28935614 0.83 L3MBTL1 (0.46) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL11948700 0.82 L3MBTL1 (0.43) L3MBTL1HTR6PTGDR2EPHX1PDE10A
SCHEMBL1996984 0.82 L3MBTL1 (0.65) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL28935550 0.76 L3MBTL1 (0.41) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL28935605 0.76 L3MBTL1 (0.43) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL1992149 0.72 L3MBTL1 (0.36) L3MBTL1HTR6EPHX1FEN1BCHE
SCHEMBL1988689 0.71 L3MBTL1 (0.46) L3MBTL1HTR6FEN1BCHEALDH1A1

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