SCHEMBL6526602

SCHEMBL6526602

CC(CCNc1ccccc1S(N)(=O)=O)Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.50
CA1 P00915 10/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.50
PTGES2 Q9H7Z7 7/20 0.46
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6530536 0.83 CA2 (0.38) CA2CA1CA9CA12PTGES2
SCHEMBL6532201 0.82 POLB (0.42) CA2CA1L3MBTL1
SCHEMBL6026242 0.79 PTGES2 (0.35) CA2CA1CA9CA12PTGES2
SCHEMBL6025521 0.78 KMT2A (0.42) CA2CA9L3MBTL1
SCHEMBL6025786 0.77 PTGES2 (0.38) CA2CA1CA9CA12PTGES2
SCHEMBL3661739 0.76 CA2 (0.56) CA2CA1CA9CA12PTGES2
SCHEMBL7144287 0.76 CA2 (0.49) CA2CA1CA9CA12PTGES2
SCHEMBL6526600 0.75 CA2 (0.53) CA2CA1CA9CA12PTGES2
SCHEMBL7354878 0.74 CA2 (0.59) CA2CA1CA9CA12PTGES2
SCHEMBL25465864 0.72 CA2 (0.55) CA2CA1CA9CA12PTGES2

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