SCHEMBL9283155

SCHEMBL9283155

O=C1Nc2cc(I)ccc2S(=O)(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.62
CA12 O43570 17/20 0.62
CA4 P22748 17/20 0.62
CA7 P43166 17/20 0.62
CA9 Q16790 17/20 0.62
CA1 P00915 17/20 0.62
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
RET P07949 1/20 0.40
PIM1 P11309 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
PRKX P51817 1/20 0.40
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40
ACVR1 Q04771 1/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL7954369 0.79 CA12 (0.80) CA2CA12CA4CA7CA9
SCHEMBL8492205 0.76 CA12 (1.00) CA2CA12CA4CA7CA9
SCHEMBL3493374 0.76 CA12 (1.00) CA2CA12CA4CA7CA9
SCHEMBL29766441 0.76 CA12 (1.00) CA2CA12CA4CA7CA9
SCHEMBL8494657 0.75 CA12 (0.97) CA2CA12CA4CA7CA9
SCHEMBL4500272 0.73 CA12 (1.00) CA2CA12CA4CA7CA9
SCHEMBL29766350 0.73 CA12 (1.00) CA2CA12CA4CA7CA9
SCHEMBL16277684 0.73 CA12 (1.00) CA2CA12CA4CA7CA9
SCHEMBL375359 0.73 CA12 (1.00) CA2CA12CA4CA7CA9
SCHEMBL30885711 0.72 CA12 (0.64) CA2CA12CA4CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687178-A1 USE OF 2H-1,2,4-BENZOTHIADIAZINE 3(4H)-ONE 1,1 DIOXIDE DERIVATIVES AS NON-COMPETITIVE NMDA RECEPTOR ANTAGONISTS Aventis Pharma S.A. (FR) 1995-12-20 EP claimed
WO-1994020109-A1 USE OF 2H-1,2,4-BENZOTHIADIAZINE 3(4H)-ONE 1,1 DIOXIDE DERIVATIVES AS NON-COMPETITIVE NMDA RECEPTOR ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1994-09-15 WO claimed
EP-0687178-A1 USE OF 2H-1,2,4-BENZOTHIADIAZINE 3(4H)-ONE 1,1 DIOXIDE DERIVATIVES AS NON-COMPETITIVE NMDA RECEPTOR ANTAGONISTS Aventis Pharma S.A. (FR) 1995-12-20 EP disclosed
WO-1994020109-A1 USE OF 2H-1,2,4-BENZOTHIADIAZINE 3(4H)-ONE 1,1 DIOXIDE DERIVATIVES AS NON-COMPETITIVE NMDA RECEPTOR ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1994-09-15 WO disclosed
WO-1993021171-A1 USE OF 2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES FOR PREPARING NMDA/AMPA RECEPTOR ANTAGONIST DRUGS, NOVEL PRODUCTS, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed