SCHEMBL7849034

SCHEMBL7849034

COc1cccc(Cc2nc(OCCO)c(Oc3ccccc3OC)c(C(N)=O)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 15/20 0.64
EDNRA P25101 5/20 0.43
EDNRB P24530 3/20 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
SCHEMBL7850930 0.92 DHPS (0.56) DHPSEDNRAEDNRB
SCHEMBL7849040 0.89 DHPS (0.81) DHPSEDNRAEDNRB
SCHEMBL7850931 0.80 DHPS (0.69) DHPS
SCHEMBL31037808 0.80 DHPS (0.81) DHPSEDNRAEDNRB
SCHEMBL31037810 0.79 DHPS (0.79) DHPS
SCHEMBL31037833 0.79 DHPS (0.79) DHPSEDNRAEDNRB
SCHEMBL31037829 0.78 DHPS (0.86) DHPSEDNRAEDNRB
SCHEMBL8635760 0.77 DHPS (0.50) DHPSEDNRAEDNRB
SCHEMBL7854304 0.76 DHPS (0.49) DHPS
SCHEMBL5633773 0.76 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed