SCHEMBL6203436

SCHEMBL6203436

O=C(CS(=O)(=O)N1CCOCC1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSK3B P49841 1/20 0.44
LMNA P02545 3/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
PRKDC P78527 1/20 0.41
MPI P34949 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6203754 0.87 PHGDH (0.48) MAPK1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL932621 0.74 ATM (0.57) ATMMAPK1GSK3BLMNAKMT2A
SCHEMBL12576431 0.72 POLB (0.50) MAPK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL5510141 0.71 HPGD (0.49) MAPK1L3MBTL1LMNAKMT2AMEN1
SCHEMBL1199899 0.71 CA12 (0.48) L3MBTL1LMNAALDH1A1GAAKDM4E
SCHEMBL2923158 0.70 POLB (0.73) MAPK1L3MBTL1LMNAKMT2AMEN1
SCHEMBL25490049 0.70 HPGD (0.56) MAPK1L3MBTL1KMT2AALDH1A1MAPT
SCHEMBL4264406 0.70 KDM4E (0.48) L3MBTL1LMNAALDH1A1GAAKDM4E
SCHEMBL28701120 0.69 NPC1 (0.54) L3MBTL1LMNAALDH1A1MAPTGAA
SCHEMBL6326207 0.69 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US 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
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