SCHEMBL8977993

SCHEMBL8977993

Cc1noc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1Br

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.70
EDNRA P25101 18/20 0.70

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
SCHEMBL6771184 0.88 EDNRA (0.68) EDNRBEDNRA
SCHEMBL7222551 0.82 EDNRA (1.00) EDNRBEDNRA
SCHEMBL9063568 0.82 EDNRA (1.00) EDNRBEDNRA
SCHEMBL7222851 0.82 EDNRA (1.00) EDNRBEDNRA
SCHEMBL7224337 0.82 EDNRA (1.00) EDNRBEDNRA
SCHEMBL7850031 0.80 EDNRA (1.00) EDNRBEDNRA
SCHEMBL8977929 0.80 EDNRA (0.76) EDNRBEDNRA
SCHEMBL7856781 0.79 EDNRB (0.57) EDNRBEDNRA
SCHEMBL6771735 0.79 EDNRA (0.67) EDNRBEDNRA
SCHEMBL7230639 0.79 EDNRA (1.00) EDNRBEDNRA

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
US-5514691-A N-(4-halo-isoxazolyl)-sulfonamides and derivatives thereof that modulate the activity of endothelin IMMUNOPHARMACEUTICS, INC. (US) 1996-05-07 US disclosed