SCHEMBL6470754

SCHEMBL6470754

CCC(C)(Nc1ccccc1S(N)(=O)=O)Sc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.45
CA1 P00915 12/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
PTGES2 Q9H7Z7 6/20 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
SCHEMBL6530534 0.84 PTGES2 (0.39) CA2CA1CA9CA12CA6
SCHEMBL6532196 0.81 LMNA (0.39) CA2CA1CA12CA5A
SCHEMBL6026235 0.79 PTGES2 (0.37) CA2PTGES2
SCHEMBL6025517 0.77 KMT2A (0.44) CA2CA1CA9
SCHEMBL6025780 0.76 PTGES2 (0.39) CA2CA1CA9CA12CA6
SCHEMBL3763309 0.69 CA2 (0.60) CA2CA1CA9CA12CA6
SCHEMBL6526600 0.69 CA2 (0.53) CA2CA1CA9CA12CA6
SCHEMBL4735838 0.68 BCL2L1 (0.45) CA2CA1CA9CA12CA6
SCHEMBL4711064 0.67 PTGES2 (0.64) CA2CA1CA9CA12CA6
SCHEMBL6530524 0.67 KMT2A (0.41) CA2CA1CA9CA12

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