SCHEMBL6971895

SCHEMBL6971895

COc1ccccc1Oc1c(Cl)nc(-c2ccc(C#N)cc2)nc1Cl

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHPS P49366 17/20 0.62
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
AR P10275 1/20 0.43

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
SCHEMBL6964288 0.86 DHPS (0.61) DHPSALDH1A1AR
SCHEMBL28589605 0.85 DHPS (0.82) DHPS
SCHEMBL7303389 0.84 DHPS (0.81) DHPSALDH1A1
SCHEMBL28584053 0.83 DHPS (0.82) DHPS
SCHEMBL7293762 0.83 DHPS (0.82) DHPSALDH1A1HPGD
SCHEMBL28581580 0.83 DHPS (0.82) DHPS
SCHEMBL28916573 0.82 DHPS (0.83) DHPS
SCHEMBL4071996 0.81 DHPS (0.67) DHPS
SCHEMBL5035040 0.79 DHPS (0.53) DHPSALDH1A1HPGD
SCHEMBL5039384 0.77 DHPS (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed