SCHEMBL8478773

SCHEMBL8478773

CCc1noc(-c2cccc(C)c2)c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
EDNRA P25101 9/20 0.45
EDNRB P24530 8/20 0.45
THRB P10828 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 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
SCHEMBL8479643 0.89 TSHR (0.46) TSHRMAPK1EDNRAEDNRBKDM4E
SCHEMBL8475707 0.87 TSHR (0.42) TSHRMAPK1EDNRAEDNRBPTPN1
SCHEMBL8481482 0.87 TSHR (0.45) MCL1TSHRMAPK1EDNRAEDNRB
SCHEMBL8475638 0.83 TSHR (0.43) TSHRMAPK1EDNRAEDNRBFFAR4
SCHEMBL8473983 0.81 HSD11B1 (0.43) TSHRMAPK1EDNRAEDNRBSMN1; SMN2
SCHEMBL8475213 0.80 EDNRB (0.45) TSHRMAPK1EDNRAEDNRBFFAR4
SCHEMBL8476543 0.79 TSHR (0.44) TSHRMAPK1EDNRAEDNRBALDH1A1
SCHEMBL8477556 0.78 PTGS2 (0.45) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8474159 0.78 TP53 (0.43) ALDH1A1HPGD
SCHEMBL8477509 0.78 TSHR (0.45) TSHRMAPK1EDNRAEDNRBFFAR4

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