SCHEMBL8486205

SCHEMBL8486205

CN(c1ccccc1)S(=O)(=O)c1ccc(/C=C/C(C)(O)C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 6/20 0.61
ABCC9 O60706 1/20 0.56
ABCC8 Q09428 1/20 0.56
KCNJ11 Q14654 1/20 0.56
KCNJ8 Q15842 1/20 0.56
NR1H2 P55055 7/20 0.54
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.45
NR1I2 O75469 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL8651887 1.00 NR1H3 (0.61) NR1H3ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8846861 0.81 HSD11B1 (0.57) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL9240562 0.81 HSD11B1 (0.57) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL8846896 0.81 HSD11B1 (0.57) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL8846856 0.81 HSD11B1 (0.57) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL8486227 0.78 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8POLB
SCHEMBL8486225 0.78 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8POLB
SCHEMBL25962408 0.76 CYP2C19 (0.50) HDAC1HDAC8TSHRHDAC3HDAC4
SCHEMBL6345171 0.74 HDAC1 (0.66) NR1H3ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL2801033 0.73 CA12 (0.67) NR1H3NR1H2HDAC1HDAC8CA12

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
WO-1999062873-A1 BENZENESULPHONAMIDE DERIVATIVES AS PYRUVATE DEHYDROGENASE ACTIVATORS ASTRAZENECA AB (SE) 1999-12-09 WO claimed
EP-0625516-B1 Benzenesulphonamide derivatives for the treatment of bladder instability ZENECA LTD (GB) 1998-09-09 EP claimed
WO-1999062873-A1 BENZENESULPHONAMIDE DERIVATIVES AS PYRUVATE DEHYDROGENASE ACTIVATORS ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
US-5693639-A TREATING URINARY INCONTINENCE ZENECA LIMITED (GB) 1997-12-02 US disclosed
US-5510386-A ADMINISTERING TO RELAX SMOOTH MUSCLE OF THE BLADDER ZENECA LIMITED (GB) 1996-04-23 US disclosed