SCHEMBL8487161

SCHEMBL8487161

CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 15/20 1.00
ABCC8 Q09428 15/20 1.00
KCNJ11 Q14654 15/20 1.00
KCNJ8 Q15842 15/20 1.00
PDK1 Q15118 3/20 0.62
PDK2 Q15119 3/20 0.62
PDK3 Q15120 3/20 0.62
PDK4 Q16654 3/20 0.62
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
CA1 P00915 2/20 0.55

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
SCHEMBL8488473 0.90 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7240954 0.84 ABCC9 (0.76) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL8490500 0.83 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7241782 0.81 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL8488331 0.78 ABCC9 (0.76) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4189849 0.78 CA9 (0.68) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8487348 0.78 ABCC9 (0.80) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL8487741 0.77 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6312180 0.77 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8492310 0.77 ABCC9 (1.00) 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 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