SCHEMBL8496971

SCHEMBL8496971

Cc1onc(NS(=O)(=O)c2cc(-c3ncco3)ccc2-c2ccccc2)c1C

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.63
EDNRB P24530 17/20 0.63

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
SCHEMBL8471717 0.85 EDNRA (0.80) EDNRAEDNRB
SCHEMBL6696366 0.84 EDNRA (0.66) EDNRAEDNRB
SCHEMBL6703895 0.82 EDNRA (0.71) EDNRAEDNRB
SCHEMBL7557151 0.80 EDNRA (0.64) EDNRAEDNRB
SCHEMBL26552022 0.78 EDNRA (0.76) EDNRAEDNRB
SCHEMBL7552444 0.78 ALDH1A1 (0.48) EDNRAEDNRB
SCHEMBL6963011 0.77 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7383296 0.77 EDNRB (0.90) EDNRAEDNRB
Edonentan SCHEMBL29742313 0.77 EDNRA (1.00) EDNRAEDNRB
Edonentan SCHEMBL1651069 0.77 EDNRA (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916907-A Method for preventing or treating low renin hypertension by administering an endothelin antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-29 US claimed
US-5916907-A Method for preventing or treating low renin hypertension by administering an endothelin antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-29 US disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed