SCHEMBL31028653

SCHEMBL31028653

NS(=O)(=O)c1cnc(F)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.50
CA1 P00915 11/20 0.50
CA9 Q16790 8/20 0.50
CA4 P22748 3/20 0.44
CA12 O43570 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
APLNR P35414 1/20 0.40
SOS1 Q07889 2/20 0.39
PTGS1 P23219 1/20 0.38

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
SCHEMBL21773307 0.82 ALDH1A1 (0.38) CA2CA1CA9LMNAPOLB
SCHEMBL1700033 0.80 ALDH1A1 (0.54) CA2CA1CA9CA4CA12
SCHEMBL31028756 0.80 CA2 (0.47) CA2CA1CA9CA4CA12
SCHEMBL1700090 0.78 CA2 (0.48) CA2CA1CA9CA4CA12
SCHEMBL31028725 0.77 CA1 (0.48) CA2CA1CA9CA4CA12
SCHEMBL31028699 0.77 PTGS2 (0.42) CA2CA1CA9CA4CA12
SCHEMBL18668405 0.77 CA2 (0.50) CA2CA1CA9CA4CA12
SCHEMBL9498413 0.74 CA2 (0.50) CA2CA1CA9CA4CA12
SCHEMBL8652693 0.72 PTGS2 (0.72) PTGS1PTGS2
SCHEMBL517787 0.71 ALDH1A1 (0.57) CA2CA1CA9LMNAL3MBTL1

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
WO-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO claimed
WO-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO disclosed