SCHEMBL6526600

SCHEMBL6526600

CCCC(Nc1ccccc1S(N)(=O)=O)Sc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.53
CA1 P00915 11/20 0.53
PTGES2 Q9H7Z7 7/20 0.47
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 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
SCHEMBL7144287 0.83 CA2 (0.49) CA2CA1PTGES2CA9CA12
SCHEMBL6526602 0.75 CA2 (0.50) CA2CA1PTGES2CA9CA12
SCHEMBL4735838 0.75 BCL2L1 (0.45) CA2CA1PTGES2CA9CA12
SCHEMBL4663952 0.71 CA2 (0.60) CA2CA1PTGES2CA9CA12
SCHEMBL6470754 0.69 CA2 (0.45) CA2CA1PTGES2CA9CA12
SCHEMBL25465852 0.68 CA2 (0.56) CA2CA1PTGES2CA9CA12
SCHEMBL7354878 0.68 CA2 (0.59) CA2CA1PTGES2CA9CA12
SCHEMBL3763309 0.68 CA2 (0.60) CA2CA1PTGES2CA9CA12
SCHEMBL4711064 0.66 PTGES2 (0.64) CA2CA1PTGES2CA9CA12
SCHEMBL7991708 0.66 CA2 (0.56) CA2CA1PTGES2CA9CA12

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-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed