SCHEMBL4734339

SCHEMBL4734339

NS(=O)(=O)c1ccccc1NCCS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.57
CA1 P00915 11/20 0.57
CA9 Q16790 6/20 0.57
CA12 O43570 4/20 0.57
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
PTGES2 Q9H7Z7 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20150147 0.78 CA2 (0.60) CA2CA1CA9CA12CA6
SCHEMBL7354878 0.77 CA2 (0.59) CA2CA1CA9CA12CA6
SCHEMBL10686653 0.74 L3MBTL1 (0.54) CA2CA1CA9CA12L3MBTL1
SCHEMBL7991708 0.74 CA2 (0.56) CA2CA1CA9CA12CA6
SCHEMBL3661739 0.74 CA2 (0.56) CA2CA1CA9CA12CA6
SCHEMBL3988768 0.74 CA2 (0.63) CA2CA1CA9CA12
SCHEMBL28984186 0.73 PTGES2 (0.58) CA2CA1CA9CA12CA6
SCHEMBL3811394 0.73 L3MBTL1 (0.60) CA2CA1CA9CA12CA6
SCHEMBL3763309 0.73 CA2 (0.60) CA2CA1CA9CA12CA6
SCHEMBL22499523 0.72 L3MBTL1 (0.63) CA2CA1CA9CA12CA6

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-2008064116-A2 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2008-05-29 WO disclosed