SCHEMBL6644386

SCHEMBL6644386

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1CO

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.51
EDNRB P24530 19/20 0.51

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
SCHEMBL6640325 0.93 EDNRA (0.52) EDNRAEDNRB
SCHEMBL6643555 0.92 EDNRB (0.54) EDNRAEDNRB
SCHEMBL6639674 0.91 EDNRA (0.49) EDNRAEDNRB
SCHEMBL6640029 0.91 EDNRA (0.49) EDNRAEDNRB
SCHEMBL6639611 0.91 EDNRB (0.54) EDNRAEDNRB
SCHEMBL6644002 0.91 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6637163 0.91 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6644435 0.90 EDNRA (0.63) EDNRAEDNRB
SCHEMBL6643297 0.90 EDNRB (0.51) EDNRAEDNRB
SCHEMBL6638691 0.90 EDNRA (0.59) 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 2 patents. 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
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed