SCHEMBL8657172

SCHEMBL8657172

CC(O)(C(=O)N(c1ccccc1)S(=O)(=O)N(c1ccccc1)c1ccccc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 4/20 0.45
ABCC8 Q09428 4/20 0.45
KCNJ11 Q14654 4/20 0.45
KCNJ8 Q15842 4/20 0.45
HSD11B1 P28845 2/20 0.44
PDK1 Q15118 4/20 0.43
PDK2 Q15119 4/20 0.43
PDK3 Q15120 4/20 0.43
PDK4 Q16654 4/20 0.43
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NR1H3 Q13133 4/20 0.40
NR1H2 P55055 2/20 0.39
NR1I2 O75469 2/20 0.39
CYP2C9 P11712 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
SCHEMBL8657904 0.90 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL8656072 0.86 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL7251787 0.85 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL7247986 0.85 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL7253590 0.85 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL8659617 0.84 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL6562369 0.84 KMT2A (0.54) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
Dimethylamine SCHEMBL6569138 0.80 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL7247433 0.79 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL6569133 0.79 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8HSD11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625516-B1 Benzenesulphonamide derivatives for the treatment of bladder instability ZENECA LTD (GB) 1998-09-09 EP claimed
EP-0625516-A1 Benzenesulphonamide derivatives for the treatment of bladder instability ZENECA LIMITED (GB) 1994-11-23 EP claimed
EP-0625516-B1 Benzenesulphonamide derivatives for the treatment of bladder instability ZENECA LTD (GB) 1998-09-09 EP disclosed
EP-0625516-A1 Benzenesulphonamide derivatives for the treatment of bladder instability ZENECA LIMITED (GB) 1994-11-23 EP disclosed