SCHEMBL8069115

SCHEMBL8069115

Cc1cc(NS(=O)(=O)c2ccc(/C=C/c3ccc(O)c(C(=O)O)c3)cc2)no1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 1/20 0.66
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
ADRA1A P35348 1/20 0.53
IDE P14735 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
PPIA P62937 1/20 0.50
CYP2C9 P11712 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
AMY1A P0DUB6 1/20 0.49

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
SCHEMBL8069117 1.00 SLC7A11 (0.66) SLC7A11MEN1KMT2ATSHRMAPK1
SCHEMBL8068346 0.83 SLC7A11 (0.66) SLC7A11MEN1KMT2ATSHRMAPK1
SCHEMBL8068378 0.82 SLC7A11 (0.70) SLC7A11MEN1KMT2ATSHRMAPK1
SCHEMBL8067345 0.82 SLC7A11 (0.70) SLC7A11MEN1KMT2ATSHRMAPK1
SCHEMBL8067342 0.82 SLC7A11 (0.70) SLC7A11MEN1KMT2ATSHRMAPK1
SCHEMBL8068375 0.82 SLC7A11 (0.70) SLC7A11MEN1KMT2ATSHRMAPK1
SCHEMBL8067761 0.79 SLC7A11 (1.00) SLC7A11MEN1KMT2ATSHRMAPK1
SCHEMBL8068359 0.79 SLC7A11 (1.00) SLC7A11MEN1KMT2ATSHRMAPK1
Alcohol SCHEMBL8997978 0.79 SLC7A11 (0.68) SLC7A11MEN1KMT2ATSHRMAPK1
Alcohol SCHEMBL8057903 0.79 SLC7A11 (0.68) SLC7A11MEN1KMT2ATSHRMAPK1

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