SCHEMBL5798211

SCHEMBL5798211

O=C1c2ccccc2S(=O)(=O)c2cc(-c3ccccc3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.62
GPR35 Q9HC97 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
APAF1 O14727 1/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
THRB P10828 1/20 0.58
XBP1 P17861 1/20 0.58
PTBP1 P26599 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
GALK1 P51570 1/20 0.58
BLM P54132 1/20 0.58
SMAD3 P84022 1/20 0.58
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL2622517 0.91 GPR3 (0.61) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL5798092 0.88 CHEK1 (0.78) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL14353258 0.85 GPR3 (0.50) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL903712 0.85 GPR3 (0.50) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL23758529 0.85 CHEK1 (0.56) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL5801828 0.84 CHEK1 (0.54) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL20382194 0.82 MAOA (0.51) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL5801776 0.82 PTPRC (0.60) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL29368441 0.81 GPR3 (0.75) CHEK1GPR35MEN1KMT2AL3MBTL1
SCHEMBL472539 0.81 GPR3 (0.75) 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