SCHEMBL7479736

SCHEMBL7479736

COc1ccccc1Oc1c(N)nc(-c2ncccn2)nc1OCCOc1ncc(Br)cn1.COc1ccccc1Oc1c(NS(=O)(=O)c2ccc3ccccc3c2)nc(-c2ncccn2)nc1OCCOc1ncc(Br)cn1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.78
EDNRB P24530 18/20 0.78

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
SCHEMBL7479303 0.96 EDNRA (0.84) EDNRAEDNRB
SCHEMBL8311606 0.86 EDNRB (0.67) EDNRAEDNRB
SCHEMBL4064951 0.83 EDNRB (0.70) EDNRAEDNRB
SCHEMBL5493621 0.83 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7483156 0.81 EDNRB (0.78) EDNRAEDNRB
SCHEMBL14289233 0.81 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7479954 0.80 EDNRB (0.72) EDNRAEDNRB
SCHEMBL7483162 0.79 EDNRB (0.74) EDNRAEDNRB
SCHEMBL14380540 0.79 EDNRB (0.90) EDNRAEDNRB
SCHEMBL15257227 0.78 EDNRA (0.77) EDNRAEDNRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959072-B1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 2002-09-25 EP disclosed