SCHEMBL31028702

SCHEMBL31028702

NS(=O)(=O)c1ccc(I)cc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 2/20 0.50
CA2 P00918 11/20 0.41
CA1 P00915 8/20 0.40
CA9 Q16790 6/20 0.40
CA3 P07451 1/20 0.40
PTGS2 P35354 4/20 0.39
PTGS1 P23219 3/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 2/20 0.39
CA13 Q8N1Q1 1/20 0.39
LDHA P00338 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
RAD51 Q06609 1/20 0.35

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
SCHEMBL2777606 1.00 TET2 (0.50) TET2CA2CA1CA9CA3
SCHEMBL18688250 0.83 TET2 (0.50) TET2CA2CA1CA9CA3
SCHEMBL26386116 0.79 CCR2 (0.42) TET2PTGS2RAD51
SCHEMBL13799680 0.79 TRPV4 (0.39) TET2CA2RAD51
SCHEMBL29556118 0.78 PTGS1 (0.48) TET2CA2CA1CA9PTGS2
SCHEMBL789994 0.78 PTGS1 (0.48) TET2CA2CA1CA9PTGS2
SCHEMBL30049401 0.77 CA2 (0.44) TET2CA2CA1CA9PTGS2
Hydrochloric Acid SCHEMBL29968814 0.77 PTGS1 (0.47) TET2CA2CA1CA9PTGS2
Iodide SCHEMBL28547721 0.77 PTGS1 (0.47) TET2CA2CA1CA9PTGS2
SCHEMBL3781004 0.77 CA2 (0.50) TET2CA2CA1CA9CA3

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