SCHEMBL2905263

SCHEMBL2905263

CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1.Cn1c(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PPARG P37231 6/20 0.47
LMNA P02545 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PHGDH O43175 1/20 0.43
MCL1 Q07820 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC2 Q92769 1/20 0.40
PTGES2 Q9H7Z7 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
SCHEMBL981562 0.90 MCL1 (0.50) PTGESPPARGHDAC1PHGDHMCL1
SCHEMBL976632 0.83 PTGES (0.67) PTGESCA1CA2LMNAHDAC1
SCHEMBL12949159 0.75 PTGES (0.65) PTGESCA1CA2LMNAMEN1
SCHEMBL12949253 0.74 LMNA (0.59) PTGESCA1CA2LMNAHDAC6
SCHEMBL13850449 0.72 PTGES (0.61) PTGESCA1CA2HDAC1HDAC6
SCHEMBL13075399 0.72 CA1 (0.50) PTGESCA1CA2LMNAHDAC1
SCHEMBL12949066 0.72 PTGES (0.61) PTGESCA1CA2LMNAMCL1
SCHEMBL12949067 0.72 PTGES (0.61) PTGESCA1CA2LMNAMEN1
SCHEMBL13850696 0.70 PTGES (0.65) PTGESCA1CA2LMNAMEN1
SCHEMBL979262 0.70 PTGES (0.72) PTGESCA1CA2LMNAMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP claimed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO claimed