SCHEMBL8391086

SCHEMBL8391086

CSc1nc(Br)cnc1NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 13/20 0.68
▸ CCR4 P51679 5/20 0.56
▸ EDNRB P24530 2/20 0.47
▸ HCRTR1 O43613 1/20 0.45

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
SCHEMBL8042542 0.85 EDNRA (0.75) EDNRA
SCHEMBL8394999 0.84 EDNRA (0.73) EDNRACCR4EDNRBHCRTR1
SCHEMBL8392301 0.84 EDNRA (0.72) EDNRACCR4EDNRBHCRTR1
SCHEMBL8395583 0.83 EDNRA (0.74) EDNRACCR4EDNRBHCRTR1
SCHEMBL8391602 0.82 EDNRA (0.69) EDNRACCR4EDNRB
SCHEMBL8042519 0.81 EDNRA (1.00) EDNRACCR4
SCHEMBL8395498 0.80 EDNRA (0.98) EDNRACCR4
SCHEMBL8395496 0.80 EDNRA (0.98) EDNRACCR4
SCHEMBL8391561 0.79 EDNRA (0.79) EDNRACCR4
SCHEMBL8391589 0.77 EDNRA (0.62) EDNRACCR4EDNRBHCRTR1

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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