SCHEMBL7337110

SCHEMBL7337110

COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)cccc2-c2onc(C)c2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.46
CA9 Q16790 5/20 0.46
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
PTGS1 P23219 3/20 0.43
MAPKAPK2 P49137 1/20 0.42
CA1 P00915 6/20 0.42
PTGS2 P35354 5/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA12 O43570 3/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
MT-CO2 P00403 1/20 0.41
LMNA P02545 1/20 0.41
CA3 P07451 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL27454564 0.91 CA2 (0.56) CA2CA9EDNRBEDNRACA1
SCHEMBL7337092 0.84 CA2 (0.44) CA2CA9EDNRBEDNRAPTGS1
SCHEMBL27492675 0.84 CA2 (0.44) CA2CA9EDNRBEDNRAPTGS1
SCHEMBL27466199 0.84 CA2 (0.52) CA2CA9EDNRBEDNRAPTGS1
SCHEMBL6151278 0.82 PTGS2 (0.47) CA2CA9EDNRBEDNRAPTGS1
SCHEMBL6151358 0.82 CA2 (0.47) CA2CA9EDNRBEDNRAPTGS1
SCHEMBL6151081 0.80 PTGS2 (0.51) CA2CA9EDNRBEDNRAPTGS1
SCHEMBL6151087 0.80 CA2 (0.48) CA2CA9EDNRBEDNRAPTGS1
SCHEMBL7337104 0.80 EDNRB (0.43) CA2CA9EDNRBEDNRAPTGS1
SCHEMBL27467613 0.79 CA2 (0.47) CA2CA9PTGS1MAPKAPK2CA1

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
CN-1130355-C Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 2003-12-10 CN disclosed
CN-1184470-A Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 1998-06-10 CN disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed