SCHEMBL7849040

SCHEMBL7849040

COc1cccc(Cc2nc(N)c(Oc3ccccc3OC)c(OCCO)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHPS P49366 16/20 0.81
ADORA1 P30542 1/20 0.45
DHFR P00374 1/20 0.43
EDNRA P25101 2/20 0.43
EDNRB P24530 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
SCHEMBL7850931 0.91 DHPS (0.69) DHPSADORA1DHFR
SCHEMBL31037808 0.90 DHPS (0.81) DHPSEDNRAEDNRB
SCHEMBL7849034 0.89 DHPS (0.64) DHPSEDNRAEDNRB
SCHEMBL31037810 0.89 DHPS (0.79) DHPS
SCHEMBL31037833 0.89 DHPS (0.79) DHPSEDNRAEDNRB
SCHEMBL31037829 0.89 DHPS (0.86) DHPSEDNRAEDNRB
SCHEMBL31037827 0.85 DHPS (0.86) DHPSEDNRAEDNRB
SCHEMBL31037818 0.85 DHPS (0.86) DHPSEDNRAEDNRB
SCHEMBL31037835 0.84 DHPS (0.84) DHPSEDNRA
SCHEMBL31037831 0.83 DHPS (0.80) DHPSADORA1EDNRAEDNRB

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