SCHEMBL6202161

SCHEMBL6202161

O=C(CS(=O)(=O)Nc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RECQL P46063 1/20 0.47
PTPN1 P18031 2/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
GSK3B P49841 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HIF1A Q16665 2/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL6205498 0.89 RECQL (0.60) HPGDLMNAMEN1KMT2AMAPT
SCHEMBL6202058 0.85 RECQL (0.49) HPGDLMNAMEN1KMT2AMAPK1
SCHEMBL831034 0.82 HPGD (0.51) HPGDLMNAMEN1KMT2AALOX15
SCHEMBL6203277 0.81 NPC1 (0.59) HPGDLMNAMEN1KMT2ACYP3A4
SCHEMBL6203807 0.81 NPC1 (0.62) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10772858 0.79 HPGD (0.53) HPGDLMNAMEN1KMT2ACYP3A4
SCHEMBL4401320 0.79 CA1 (0.50) HPGDLMNAMEN1KMT2AMAPT
SCHEMBL27482839 0.78 HPGD (0.49) HPGDLMNAMEN1KMT2AMAPT
SCHEMBL832208 0.76 HPGD (0.50) HPGDLMNAALOX15RECQLPTPN1
SCHEMBL6204418 0.76 KMT2A (0.50) HPGDLMNAMEN1KMT2AMAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US claimed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN claimed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP claimed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO claimed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
US-4001229-A ALKANESULFONAMIDO TRIPHENYLETHYLENES MEAD JOHNSON & COMPANY (US) 1977-01-04 US disclosed