SCHEMBL8395065

SCHEMBL8395065

Cc1cc(Cl)nnc1NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 7/20 0.71
▸ EDNRB P24530 2/20 0.49
▸ MAPT P10636 1/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ GHSR Q92847 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PFKFB3 Q16875 1/20 0.42
▸ ACLY P53396 1/20 0.42

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
SCHEMBL8058051 0.83 EDNRA (1.00) EDNRA
SCHEMBL8392365 0.81 EDNRA (0.53) EDNRAEDNRBMAPTHCRTR1ALDH1A1
SCHEMBL8391081 0.78 EDNRA (0.70) EDNRAEDNRBMAPTHCRTR1ALDH1A1
SCHEMBL7768597 0.76 EDNRA (0.71) EDNRAEDNRBMAPTHCRTR1PKM
SCHEMBL8394178 0.76 EDNRA (0.67) EDNRAEDNRBHCRTR1ALDH1A1RXFP1
SCHEMBL8390511 0.74 EDNRA (0.55) EDNRAEDNRBHCRTR1ALDH1A1RXFP1
SCHEMBL7770278 0.73 EDNRA (0.54) EDNRAEDNRBMAPTHCRTR1ALDH1A1
SCHEMBL8394999 0.72 EDNRA (0.73) EDNRAEDNRBMAPTHCRTR1
SCHEMBL8392558 0.72 EDNRA (0.59) EDNRAEDNRBHCRTR1
SCHEMBL8391095 0.72 EDNRA (0.76) EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752986-B1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LTD (GB) 1999-05-19 — — EP disclosed
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