SCHEMBL8646342

SCHEMBL8646342

CC(O)(C#Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.57
ABCC8 Q09428 1/20 0.57
KCNJ11 Q14654 1/20 0.57
KCNJ8 Q15842 1/20 0.57
POLB P06746 2/20 0.50
EPHX2 P34913 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.46
GAA P10253 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.45
USP2 O75604 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PKM P14618 1/20 0.43

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
SCHEMBL8486232 0.89 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL9347018 0.74 POLB (0.63) ABCC9ABCC8KCNJ11KCNJ8POLB
SCHEMBL15904229 0.74 POLB (0.67) POLBL3MBTL1SMN1; SMN2LMNAMAPK1
SCHEMBL12793245 0.73 POLB (0.88) POLBL3MBTL1SMN1; SMN2LMNAMAPK1
SCHEMBL8611581 0.73 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8POLB
SCHEMBL8524297 0.73 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8POLB
SCHEMBL5803751 0.72 POLB (0.69) POLBL3MBTL1SMN1; SMN2LMNAMAPK1
SCHEMBL8846776 0.72 HSD11B1 (0.57) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL8489832 0.72 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8EPHX2
SCHEMBL24295449 0.71 EPHX2 (0.75) ABCC9ABCC8KCNJ11KCNJ8POLB

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 8 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
US-5693639-A TREATING URINARY INCONTINENCE ZENECA LIMITED (GB) 1997-12-02 US claimed
US-5510386-A ADMINISTERING TO RELAX SMOOTH MUSCLE OF THE BLADDER ZENECA LIMITED (GB) 1996-04-23 US 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
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