SCHEMBL7811154

SCHEMBL7811154

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(S(C)(=O)=O)nc1OCCO

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.81
EDNRB P24530 9/20 0.81
ABCC3 O15438 1/20 0.77
ABCC4 O15439 1/20 0.77
NR1I2 O75469 1/20 0.77
ABCB11 O95342 1/20 0.77
DHPS P49366 1/20 0.77
NR1H3 Q13133 1/20 0.77
NR1I3 Q14994 1/20 0.77

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
SCHEMBL7296746 0.90 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8326901 0.90 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL2441280 0.90 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7295188 0.89 EDNRA (0.82) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7299313 0.89 EDNRA (0.82) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7298083 0.88 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7296618 0.87 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7300165 0.87 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7818564 0.87 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7292885 0.87 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2

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
EP-0743307-B1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 2001-09-12 EP disclosed
EP-0959073-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1999-11-24 EP disclosed
US-5739333-A 4-SULFONAMIDO-6-ARYLOXY OR -AMINOALKYLENEOXY,-AMINO, OR -THIOPYRIMIDINES; ENDOLTHELIN ANTAGONISTS; HYPOTENSIVE AND ULCER AGENTS; ASTHMA; RAYNAUD DISEASE; CARDIOVASCULAR DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0743307-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-11-20 EP disclosed