SCHEMBL5801776

SCHEMBL5801776

O=C1c2ccccc2S(=O)(=O)c2cc(-c3ccsc3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.60
CHEK1 O14757 3/20 0.52
GPR35 Q9HC97 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOA P21397 2/20 0.48
PSMD14 O00487 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5798211 0.82 CHEK1 (0.62) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL23758529 0.77 CHEK1 (0.56) PTPRCCHEK1GPR35MEN1KMT2A
SCHEMBL1960575 0.75 PTPRC (1.00) PTPRCMEN1KMT2AL3MBTL1MAOA
SCHEMBL5798092 0.74 CHEK1 (0.78) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL31472931 0.74 GPR3 (0.75) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL29368441 0.74 GPR3 (0.75) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL472539 0.74 GPR3 (0.75) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL5801828 0.73 CHEK1 (0.54) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL2622517 0.73 GPR3 (0.61) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL22843340 0.71 CHEK1 (0.49) CHEK1GPR35MEN1KMT2AL3MBTL1

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-2006060774-A2 AGENTS THAT INHIBIT FLAVIVIRUS REPLICATION AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-06-08 WO disclosed