SCHEMBL8523604

SCHEMBL8523604

CC(C)Cc1noc(NS(=O)(=O)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.51
EDNRB P24530 9/20 0.51
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL8479988 0.86 EDNRA (0.55) EDNRAEDNRBTSHRMAPK1
SCHEMBL8473239 0.84 EDNRA (0.52) EDNRAEDNRBTSHRMAPK1
SCHEMBL8477061 0.82 EDNRA (0.50) EDNRAEDNRBTSHRMAPK1
SCHEMBL8473816 0.81 NMT1 (0.43) EDNRAEDNRBKDM4ETSHRMAPK1
SCHEMBL8525137 0.81 EDNRA (0.55) EDNRAEDNRBTSHRMAPK1
SCHEMBL8476607 0.79 EDNRA (0.53) EDNRAEDNRBTSHRMAPK1
SCHEMBL7221292 0.79 EDNRA (0.71) EDNRAEDNRBTSHR
SCHEMBL8481520 0.78 EDNRA (0.50) EDNRAEDNRBTSHRMAPK1
SCHEMBL8478164 0.75 HSD11B1 (0.49) EDNRAEDNRB
SCHEMBL8479939 0.73 ALDH1A1 (0.49) EDNRAEDNRBKDM4ETSHRMAPK1

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