SCHEMBL8068575

SCHEMBL8068575

Cc1cccnc1NS(=O)(=O)c1ccc(C=Cc2ccc(O)c(C(=O)OCC(C)C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 2/20 0.52
PTGS2 P35354 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 1/20 0.37
MCL1 Q07820 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL8068573 1.00 SLC7A11 (0.52) SLC7A11PTGS2TSHRMAPTKMT2A
SCHEMBL9144877 0.88 SLC7A11 (0.58) SLC7A11PTGS2TSHRMAPTKMT2A
SCHEMBL9144880 0.88 SLC7A11 (0.58) SLC7A11PTGS2TSHRMAPTKMT2A
SCHEMBL8072366 0.86 SLC7A11 (0.69) SLC7A11TSHRMAPTKMT2AMEN1
SCHEMBL8072369 0.86 SLC7A11 (0.69) SLC7A11TSHRMAPTKMT2AMEN1
SCHEMBL8058555 0.84 SLC7A11 (0.71) SLC7A11PTGS2TSHRMAPTKMT2A
SCHEMBL8058554 0.84 SLC7A11 (0.71) SLC7A11PTGS2TSHRMAPTKMT2A
SCHEMBL8057929 0.83 SLC7A11 (0.70) SLC7A11PTGS2TSHRMAPTKMT2A
Potassium Ion SCHEMBL8057923 0.83 SLC7A11 (0.59) SLC7A11PTGS2TSHRMAPTKMT2A
Potassium Ion SCHEMBL8057927 0.83 SLC7A11 (0.59) SLC7A11PTGS2TSHRMAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613468-B1 Substituted salicylic acids for the treatment of autoimmune diseases PHARMACIA & UPJOHN AB (SE) 2000-07-12 EP disclosed
US-5556855-A TREATMENT OF AUTOIMMUNE DISEASES PHARMACIA AB (SE) 1996-09-17 US disclosed
US-5403930-A Chemical intermediate for drugs used in autoimmune diseases PHARMACIA AB (SE) 1995-04-04 US disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed