SCHEMBL8490608

SCHEMBL8490608

CCN(CC)S(=O)(=O)c1ccc(C#CC(C)(O)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.53
ABCC8 Q09428 2/20 0.53
KCNJ11 Q14654 2/20 0.53
KCNJ8 Q15842 2/20 0.53
LMNA P02545 5/20 0.47
HTT P42858 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NR1H2 P55055 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 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
SCHEMBL8525296 0.78 NR1H2 (0.64) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL8846776 0.76 HSD11B1 (0.57) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL8846852 0.74 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL20183917 0.74 LMNA (0.56) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8486232 0.72 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL7974837 0.71 LMNA (0.66) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL20183923 0.71 LMNA (0.56) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8486225 0.70 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8486227 0.70 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL3636387 0.70 LMNA (0.63) LMNAHTTSMN1; SMN2NPC1RAB9A

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