SCHEMBL6770780

SCHEMBL6770780

Cc1noc(NS(=O)(=O)c2cc(OCCc3ccccc3)ccc2Br)c1C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.61
EDNRB P24530 10/20 0.61

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
SCHEMBL6767692 0.90 EDNRA (0.64) EDNRAEDNRB
SCHEMBL6773114 0.81 EDNRA (0.68) EDNRAEDNRB
SCHEMBL6771340 0.81 EDNRA (0.73) EDNRAEDNRB
SCHEMBL6640611 0.76 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6773454 0.74 ADAM17 (0.40) EDNRAEDNRB
SCHEMBL6770560 0.73 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6772019 0.72 CA12 (0.54)
SCHEMBL6771908 0.72 EDNRB (0.72) EDNRAEDNRB
SCHEMBL6771743 0.72 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7849765 0.69 MEN1 (0.70) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed