SCHEMBL8475826

SCHEMBL8475826

CC(C)c1noc(-c2ccccc2)c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
EDNRB P24530 8/20 0.46
EDNRA P25101 8/20 0.46
HSD11B1 P28845 2/20 0.45
SLC40A1 Q9NP59 1/20 0.42
RORC P51449 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8480037 0.82 TSHR (0.43) TSHRMAPK1EDNRBEDNRAHSD11B1
SCHEMBL8479006 0.81 EDNRB (0.60) TSHRMAPK1EDNRBEDNRAHSD11B1
SCHEMBL8473816 0.80 NMT1 (0.43) TSHRMAPK1EDNRBEDNRAHSD11B1
SCHEMBL8525137 0.80 EDNRA (0.55) TSHRMAPK1EDNRBEDNRASLC40A1
SCHEMBL8479643 0.78 TSHR (0.46) TSHRMAPK1EDNRBEDNRAHSD11B1
SCHEMBL8477509 0.77 TSHR (0.45) TSHRMAPK1EDNRBEDNRAHSD11B1
SCHEMBL8476543 0.76 TSHR (0.44) TSHRMAPK1EDNRBEDNRAHSD11B1
SCHEMBL8473314 0.76 LIMK2 (0.52) TSHRMAPK1EDNRBEDNRAHSD11B1
SCHEMBL8475016 0.75 ALDH1A1 (0.49) TSHRMAPK1EDNRBEDNRAHSD11B1
SCHEMBL8474213 0.75 EDNRB (0.56) TSHRMAPK1EDNRBEDNRAFFAR4

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