SCHEMBL8069199

SCHEMBL8069199

O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 4/20 0.78
MEN1 O00255 1/20 0.63
ABCC3 O15438 1/20 0.63
ABCC4 O15439 1/20 0.63
USP2 O75604 1/20 0.63
SLCO2B1 O94956 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
LMNA P02545 1/20 0.63
MMP1 P03956 1/20 0.63
ABCB1 P08183 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
TBXAS1 P24557 1/20 0.63
MAPK1 P28482 1/20 0.63
CASP1 P29466 1/20 0.63

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
SCHEMBL8069200 1.00 SLC7A11 (0.78) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL8067761 0.88 SLC7A11 (1.00) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL8068359 0.88 SLC7A11 (1.00) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL25204299 0.84 SLC7A11 (0.59) SLC7A11MEN1LMNAMAPTNFKB1
SCHEMBL8072355 0.80 SLC7A11 (0.65) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL30758844 0.80 SLC7A11 (0.74) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL15499090 0.78 ALDH1A1 (0.71) SLC7A11MEN1ABCC3ABCC4USP2
Sulfapyridine SCHEMBL10336229 0.78 SLC7A11 (0.71) SLC7A11MEN1ABCC3ABCC4USP2
Sulfasalazine SCHEMBL4515 0.77 SLC7A11 (1.00) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL9147381 0.77 SLC7A11 (0.70) SLC7A11MEN1ABCC3ABCC4USP2

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