SCHEMBL6025786

SCHEMBL6025786

CC(CCNc1c(F)cc(F)cc1S(N)(=O)=O)Sc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 5/20 0.38
CA12 O43570 12/20 0.33
CA1 P00915 12/20 0.33
CA2 P00918 12/20 0.33
CA4 P22748 11/20 0.33
CA9 Q16790 11/20 0.33
CA7 P43166 11/20 0.33
CA13 Q8N1Q1 11/20 0.33
CA3 P07451 10/20 0.33
CA6 P23280 10/20 0.33
CA14 Q9ULX7 10/20 0.33
CA5B Q9Y2D0 10/20 0.33
CA5A P35218 8/20 0.33
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL6526602 0.77 CA2 (0.50) PTGES2CA12CA1CA2CA9
SCHEMBL6026242 0.77 PTGES2 (0.35) PTGES2CA12CA1CA2CA4
SCHEMBL6025521 0.74 KMT2A (0.42) CA2CA9
SCHEMBL6532201 0.71 POLB (0.42) CA1CA2
SCHEMBL6025780 0.70 PTGES2 (0.39) PTGES2CA12CA1CA2CA4
SCHEMBL6530536 0.70 CA2 (0.38) PTGES2CA12CA1CA2CA9
SCHEMBL6026291 0.68 KMT2A (0.41) CA2CA9
SCHEMBL6531288 0.68 MEN1 (0.40) CA2CA9
SCHEMBL6470757 0.63 PKM (0.44)
SCHEMBL6025635 0.63 TAS2R14 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685119-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2006-08-02 EP disclosed
WO-2005049594-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed