SCHEMBL8486232

SCHEMBL8486232

CC(O)(C#Cc1ccc(S(=O)(=O)N2CCCC2)cc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.54
ABCC8 Q09428 2/20 0.54
KCNJ11 Q14654 2/20 0.54
KCNJ8 Q15842 2/20 0.54
PDK1 Q15118 2/20 0.53
PDK2 Q15119 2/20 0.53
PDK3 Q15120 2/20 0.53
PDK4 Q16654 2/20 0.53
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
USP2 O75604 1/20 0.49
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8646342 0.89 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL8846776 0.78 HSD11B1 (0.57) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL8846852 0.76 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL3556996 0.75 LMNA (0.68) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL3555800 0.75 LMNA (0.68) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL3551978 0.75 LMNA (0.68) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL24962669 0.73 GCK (0.65) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL8490608 0.72 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL24962668 0.72 GCK (0.64) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL11959848 0.71 LMNA (0.76) ABCC9ABCC8KCNJ11KCNJ8PDK1

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 9 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
US-5693639-A TREATING URINARY INCONTINENCE ZENECA LIMITED (GB) 1997-12-02 US claimed
EP-0625516-A1 Benzenesulphonamide derivatives for the treatment of bladder instability ZENECA LIMITED (GB) 1994-11-23 EP claimed
WO-1999062873-A1 BENZENESULPHONAMIDE DERIVATIVES AS PYRUVATE DEHYDROGENASE ACTIVATORS ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
EP-0625516-B1 Benzenesulphonamide derivatives for the treatment of bladder instability ZENECA LTD (GB) 1998-09-09 EP 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
EP-0625516-A1 Benzenesulphonamide derivatives for the treatment of bladder instability ZENECA LIMITED (GB) 1994-11-23 EP disclosed