SCHEMBL7956891

SCHEMBL7956891

C[S+]([O-])C1=NS(=O)(=O)c2cc(Cl)ccc2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 3/20 0.62
KCNJ11 Q14654 3/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP1A2 P05177 2/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
THRB P10828 1/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA1 P00915 2/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL25329356 0.83 L3MBTL1 (0.43) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL7950622 0.78 ABCC8 (0.73) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
Diazoxide SCHEMBL41255 0.77 ABCC8 (1.00) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
Diazoxide SCHEMBL31112206 0.77 ABCC8 (1.00) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL7950864 0.74 ABCC8 (0.66) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL720640 0.74 ALDH1A1 (0.66) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL7952683 0.70 ABCC8 (0.61) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL30885708 0.70 ABCC8 (0.61) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL16983458 0.70 ALDH1A1 (0.61) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL30885704 0.70 ABCC8 (0.61) ABCC8KCNJ11ALDH1A1CYP1A2LMNA

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
CN-1081633-C 1,2, 4-benzothiadiazine derivatives, method for preparing same and use thereof NOVO NORDISK AS (DK) 2002-03-27 CN disclosed
US-6242443-B1 1,2,4-benzothiadiazine derivatives, their preparation and use NOVO NORDISK AIS (DK) 2001-06-05 US disclosed
CN-1222910-A 1,2, 4-benzothiadiazine derivatives, method for preparing same and use thereof NOVO NORDISK AS (DK) 1999-07-14 CN disclosed