SCHEMBL7303594

SCHEMBL7303594

COCCc1nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Oc2cccc(OC)c2)c(OCCO)n1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.75
EDNRB P24530 3/20 0.75
ABCC3 O15438 1/20 0.58
ABCC4 O15439 1/20 0.58
NR1I2 O75469 1/20 0.58
ABCB11 O95342 1/20 0.58
DHPS P49366 1/20 0.58
NR1H3 Q13133 1/20 0.58
NR1I3 Q14994 1/20 0.58

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
SCHEMBL9423879 0.95 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9423821 0.94 EDNRA (0.73) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7598423 0.89 EDNRA (0.78) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7586114 0.87 EDNRA (0.75) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7297093 0.87 EDNRA (0.77) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7593718 0.86 EDNRA (0.73) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7946111 0.86 EDNRA (0.73) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7326206 0.85 EDNRB (0.58) EDNRAEDNRB
SCHEMBL30057758 0.85 EDNRA (1.00) EDNRAEDNRB
SCHEMBL2678965 0.85 EDNRA (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP claimed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US claimed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP claimed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed