SCHEMBL8568610

SCHEMBL8568610

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.53
EDNRB P24530 8/20 0.53
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8353066 0.96 EDNRA (0.51) EDNRAEDNRBTP53MAPT
SCHEMBL8697810 0.92 EDNRA (0.45) EDNRAEDNRBTP53MAPT
SCHEMBL8573715 0.91 EDNRA (0.52) EDNRAEDNRBTP53MAPT
SCHEMBL6640800 0.88 EDNRB (0.41) EDNRAEDNRBTP53MAPT
SCHEMBL8572868 0.88 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8568832 0.87 EDNRA (0.52) EDNRAEDNRB
SCHEMBL6778008 0.87 EDNRB (0.40) EDNRAEDNRBTP53MAPT
SCHEMBL6770266 0.87 EDNRB (0.39) EDNRAEDNRBTP53MAPT
SCHEMBL6772610 0.86 EDNRB (0.39) EDNRAEDNRBTP53MAPT
SCHEMBL6772130 0.86 TP53 (0.39) EDNRAEDNRBTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed
US-5760038-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-02 US disclosed
EP-0725067-A1 Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-07 EP disclosed