SCHEMBL7327716

SCHEMBL7327716

COc1ccccc1Oc1c(N)ncnc1OCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.45
EDNRA P25101 4/20 0.43
EDNRB P24530 3/20 0.39

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
SCHEMBL8322606 0.82 EDNRB (0.44) EDNRAEDNRB
SCHEMBL8323076 0.81 DHPS (0.56) DHPSEDNRAEDNRB
SCHEMBL7850652 0.81 EDNRA (0.47) DHPSEDNRAEDNRB
SCHEMBL4060249 0.80 DHPS (0.66) DHPSEDNRAEDNRB
SCHEMBL5101462 0.77 EDNRB (0.61) DHPSEDNRAEDNRB
SCHEMBL2492997 0.74 EDNRA (0.50) DHPSEDNRAEDNRB
SCHEMBL3056560 0.71 CYP1A2 (0.53)
SCHEMBL7297617 0.70 DHPS (0.58) DHPS
SCHEMBL7337221 0.68 DHPS (0.50) DHPS
SCHEMBL7851591 0.68 DHPS (0.56) DHPSEDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP disclosed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
WO-1996016963-A1 SULFONAMIDES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-06 WO disclosed
EP-0713875-A1 Sulfonamides F. Hoffmann-La Roche AG (CH) 1996-05-29 EP disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 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