SCHEMBL6584039

SCHEMBL6584039

COc1ccccc1Oc1c(N)nc(-c2ccnc(C#N)c2)nc1OCCO

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 17/20 0.69
EDNRA P25101 3/20 0.48
EDNRB P24530 1/20 0.48

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
SCHEMBL5032708 0.90 DHPS (0.53) DHPS
SCHEMBL6584032 0.90 DHPS (0.55) DHPSEDNRAEDNRB
SCHEMBL30466195 0.84 DHPS (0.47) DHPSEDNRAEDNRB
SCHEMBL5036559 0.84 DHPS (0.65) DHPS
SCHEMBL4066788 0.84 DHPS (0.85) DHPSEDNRAEDNRB
SCHEMBL6966755 0.83 EDNRA (0.74) DHPSEDNRAEDNRB
SCHEMBL30412442 0.82 DHPS (1.00) DHPSEDNRAEDNRB
SCHEMBL28573181 0.82 DHPS (1.00) DHPSEDNRAEDNRB
SCHEMBL6961606 0.82 EDNRA (0.66) DHPSEDNRAEDNRB
SCHEMBL5035326 0.82 DHPS (0.68) DHPS

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
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP claimed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed