SCHEMBL6640568

SCHEMBL6640568

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1C(O)c1ncc(-c2ccccc2)o1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.41
EDNRB P24530 19/20 0.41

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
SCHEMBL6641406 0.87 EDNRA (0.52) EDNRAEDNRB
SCHEMBL6644386 0.82 EDNRA (0.51) EDNRAEDNRB
SCHEMBL6968725 0.82 EDNRA (0.47) EDNRAEDNRB
SCHEMBL6643555 0.82 EDNRB (0.54) EDNRAEDNRB
SCHEMBL7406151 0.82 EDNRA (0.46) EDNRAEDNRB
SCHEMBL6639938 0.81 EDNRA (0.53) EDNRAEDNRB
SCHEMBL6638691 0.81 EDNRA (0.59) EDNRAEDNRB
SCHEMBL6644002 0.81 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6637163 0.81 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6641243 0.81 EDNRA (0.54) 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-0921800-B1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2004-04-14 EP disclosed