SCHEMBL9218786

SCHEMBL9218786

Cc1cc(C)c(S(N)(=O)=O)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
RAPGEF4 Q8WZA2 6/20 0.44
CA12 O43570 3/20 0.42
CA7 P43166 2/20 0.42
CA13 Q8N1Q1 1/20 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
SCHEMBL113366 0.86 CA1 (0.52) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL29800987 0.76 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL5179012 0.75 LMNA (0.49) ALDH1A1KDM4ELMNAMAPTF2
SCHEMBL17878197 0.73 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2047218 0.71 RAPGEF4 (0.67) ALDH1A1LMNAGAAMAPTF2
SCHEMBL21117641 0.71 CA1 (0.56) ALDH1A1LMNAGAAMAPTF2
SCHEMBL13480893 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EF2PRSS1PRSS2
SCHEMBL6279907 0.70 NR3C1 (0.40) GAAF2PRSS1PRSS2PRSS3
SCHEMBL6586893 0.70 ALDH1A1 (0.48) ALDH1A1KDM4ELMNACA1CA2
SCHEMBL1804025 0.70 KDM4E (0.79) ALDH1A1KDM4ELMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 EP 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
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed