SCHEMBL8525137

SCHEMBL8525137

CC(C)c1noc(NS(=O)(=O)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.55
EDNRB P24530 10/20 0.55
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
MT-CO2 P00403 2/20 0.42
PTGS2 P35354 2/20 0.42
SLC40A1 Q9NP59 1/20 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
SCHEMBL7221292 0.82 EDNRA (0.71) EDNRAEDNRBTSHR
SCHEMBL8523604 0.81 EDNRA (0.51) EDNRAEDNRBTSHRMAPK1
SCHEMBL8475826 0.80 TSHR (0.46) EDNRAEDNRBTSHRMAPK1SLC40A1
SCHEMBL8479988 0.78 EDNRA (0.55) EDNRAEDNRBTSHRMAPK1MT-CO2
SCHEMBL8473239 0.76 EDNRA (0.52) EDNRAEDNRBTSHRMAPK1MT-CO2
SCHEMBL11014895 0.76 MLYCD (0.52) MAPK1PTGS2
SCHEMBL8479975 0.76 EDNRA (0.66) EDNRAEDNRB
SCHEMBL8477061 0.75 EDNRA (0.50) EDNRAEDNRBTSHRMAPK1
SCHEMBL8473321 0.74 EDNRA (0.64) EDNRAEDNRB
SCHEMBL27490281 0.74 EDNRA (0.67) 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
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed