SCHEMBL29113253

SCHEMBL29113253

O=C(Cl)CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.64
FEN1 P39748 1/20 0.64
GSK3B P49841 2/20 0.61
L3MBTL1 Q9Y468 4/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PABPC1 P11940 1/20 0.47

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
SCHEMBL271455 0.91 MEN1 (0.52) ERCC5FEN1GSK3BMAPTKDM4E
SCHEMBL600674 0.88 ERCC5 (0.72) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL28771856 0.84 ERCC5 (0.67) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL4716770 0.82 ERCC5 (0.70) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL599285 0.80 KMT2A (0.74) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL908578 0.80 ERCC5 (0.62) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL11606610 0.80 KMT2A (0.74) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL28874706 0.80 GSK3B (0.87) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL21414950 0.80 RAB9A (0.69) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL28991602 0.80 PLOD2 (0.60) MAPTKDM4ECES2CES1KMT2A

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-117126119-A Preparation method of (benzo) thiazole amide-containing compound 济宁医学院 2023-11-28 CN disclosed