SCHEMBL4782248

SCHEMBL4782248

O=C(CC([S])=S)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.60
FEN1 P39748 1/20 0.60
GSK3B P49841 2/20 0.57
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL600674 0.84 ERCC5 (0.72) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL28771856 0.80 ERCC5 (0.67) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL21995821 0.79 ERCC5 (0.55) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL4716770 0.78 ERCC5 (0.70) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL29113253 0.78 ERCC5 (0.64) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL908578 0.77 ERCC5 (0.62) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL21414950 0.77 RAB9A (0.69) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL11606610 0.77 KMT2A (0.74) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL599285 0.77 KMT2A (0.74) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL11606030 0.77 ERCC5 (0.62) ERCC5FEN1GSK3BMAPTL3MBTL1

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-2008074078-A1 SELECTIVELY DELIVERABLE ISATIN-BASED CYTOTOXIC AGENTS UNIVERSITY OF WOLLONGONG (AU) 2008-06-26 WO disclosed