SCHEMBL3661739

SCHEMBL3661739

NS(=O)(=O)c1ccccc1NCCSc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.56
CA1 P00915 8/20 0.56
CA12 O43570 4/20 0.56
CA9 Q16790 3/20 0.56
CA7 P43166 2/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGES2 Q9H7Z7 4/20 0.44
CA13 Q8N1Q1 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29793288 0.79 RAB9A (0.42) CA2CA1CA12CA9MEN1
SCHEMBL20150147 0.77 CA2 (0.60) CA2CA1CA12CA9CA7
SCHEMBL6526602 0.76 CA2 (0.50) CA2CA1CA12CA9CA7
SCHEMBL4730471 0.76 CA2 (0.59) CA2CA1CA12CA9CA7
SCHEMBL7354878 0.76 CA2 (0.59) CA2CA1CA12CA9CA7
SCHEMBL29793252 0.75 CA2 (0.48) CA2CA1CA12CA7MEN1
SCHEMBL26681751 0.75 CA2 (0.48) CA2CA1CA12CA7MEN1
SCHEMBL26858769 0.74 BCL2L1 (0.48) CA2CA1CA12CA7MEN1
SCHEMBL4734339 0.74 CA2 (0.57) CA2CA1CA12CA9CA7
SCHEMBL26860196 0.73 CA2 (0.46) CA2CA1CA12CA7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231159-A1 METHOD OF TREATING ARTHRITIS Abbott Laboratories (US) 2010-09-29 EP disclosed
EP-2061560-A2 BCL INHIBITORS FOR TREATING PLATELET EXCESS Abbott Laboratories (US) 2009-05-27 EP disclosed
WO-2009064938-A1 METHOD OF TREATING ARTHRITIS ABBOTT LABORATORIES (US) 2009-05-22 WO disclosed
WO-2008064116-A2 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2008-05-29 WO disclosed
WO-2008030836-A2 BCL INHIBITORS TREATING PLATELET EXCESS ABBOTT LABORATORIES (US) 2008-03-13 WO disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed