SCHEMBL6972287

SCHEMBL6972287

COc1ccc(Cl)c(Oc2c(OCCO)nc(-c3ccnc(-c4nnn[nH]4)c3)nc2C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHPS P49366 13/20 0.42
EDNRA P25101 4/20 0.40
EDNRB P24530 3/20 0.40
SGK1 O00141 2/20 0.35
CHEK2 O96017 1/20 0.33

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
SCHEMBL6961036 0.91 DHPS (0.51) DHPSEDNRAEDNRBSGK1
SCHEMBL5654640 0.88 EDNRA (0.51) DHPSEDNRAEDNRB
SCHEMBL25234371 0.87 EDNRA (0.50) DHPSEDNRAEDNRB
SCHEMBL5631564 0.82 EDNRB (0.43) DHPSEDNRAEDNRB
SCHEMBL6972701 0.81 EDNRA (0.60) DHPSEDNRAEDNRB
SCHEMBL6974941 0.80 EDNRA (0.64) EDNRAEDNRB
SCHEMBL6973000 0.79 EDNRA (0.43) DHPSEDNRAEDNRB
SCHEMBL5632829 0.79 EDNRA (0.51) EDNRAEDNRB
SCHEMBL5632224 0.79 EDNRB (0.42) DHPSEDNRAEDNRB
SCHEMBL6965313 0.79 EDNRA (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP claimed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US claimed
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