SCHEMBL7848871

SCHEMBL7848871

Nc1nc(Cc2cccc(O)c2)nc(OCCO)c1Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHPS P49366 15/20 0.62
ADORA1 P30542 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
DHFR P00374 2/20 0.40

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
SCHEMBL7850931 0.89 DHPS (0.69) DHPSADORA1DHFR
SCHEMBL7848869 0.87 DHPS (0.49) DHPSADORA1ADORA3ADORA2ADHFR
SCHEMBL7849040 0.81 DHPS (0.81) DHPSADORA1DHFR
SCHEMBL7850930 0.78 DHPS (0.56) DHPSADORA1
SCHEMBL8638012 0.77 DHPS (0.39) DHPS
SCHEMBL31037808 0.76 DHPS (0.81) DHPS
SCHEMBL31037833 0.76 DHPS (0.79) DHPS
SCHEMBL31037810 0.76 DHPS (0.79) DHPS
SCHEMBL31037829 0.72 DHPS (0.86) DHPS
SCHEMBL31037827 0.70 DHPS (0.86) 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 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