SCHEMBL7209693

SCHEMBL7209693

COc1ccccc1Oc1c(N)nc(-c2ncccn2)nc1OC

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHPS P49366 20/20 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
SCHEMBL7700301 0.87 DHPS (0.64) DHPS
SCHEMBL4064097 0.86 DHPS (0.74) DHPS
SCHEMBL4060092 0.86 EDNRB (0.67) DHPS
SCHEMBL4061147 0.86 DHPS (0.80) DHPS
SCHEMBL2640206 0.83 DHPS (0.62) DHPS
SCHEMBL4059948 0.81 EDNRA (0.63) DHPS
SCHEMBL4062792 0.81 EDNRB (0.63) DHPS
SCHEMBL13668945 0.81 EDNRA (0.46)
SCHEMBL5032725 0.81 DHPS (0.59) DHPS
SCHEMBL8323076 0.81 DHPS (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610518-B2 Using Cytochrome p450 PFIZER INC. 2003-08-26 US disclosed
US-20020012977-A1 Enzymatic oxidations PFIZER PRODUCTS INC. 2002-01-31 US disclosed
EP-1160331-A1 Enzymatic oxidations Pfizer Limited (GB) 2001-12-05 EP disclosed
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP disclosed
US-5837708-A CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 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