SCHEMBL8069398

SCHEMBL8069398

COC(=O)c1cc(C=Cc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 3/20 0.79
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 2/20 0.55
ABCC3 O15438 1/20 0.55
ABCC4 O15439 1/20 0.55
USP2 O75604 1/20 0.55
SLCO2B1 O94956 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
LMNA P02545 1/20 0.55
MMP1 P03956 1/20 0.55
ABCB1 P08183 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
TBXAS1 P24557 1/20 0.55

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
SCHEMBL8069397 1.00 SLC7A11 (0.79) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL8067761 0.88 SLC7A11 (1.00) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL8068359 0.88 SLC7A11 (1.00) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL8072366 0.88 SLC7A11 (0.69) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL8072369 0.88 SLC7A11 (0.69) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL9144880 0.84 SLC7A11 (0.58) SLC7A11MEN1KMT2AMAPTTSHR
SCHEMBL9144877 0.84 SLC7A11 (0.58) SLC7A11MEN1KMT2AMAPTTSHR
SCHEMBL8067735 0.83 SLC7A11 (0.79) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL15499089 0.82 SLC7A11 (0.70) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL27338041 0.82 SLC7A11 (0.54) SLC7A11MEN1KMT2AALDH1A1MAPK1

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 6 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
EP-0613468-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS Pharmacia & Upjohn Aktiebolag (SE) 1994-09-07 EP disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed
WO-1993010094-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS KABI PHARMACIA AB (SE) 1993-05-27 WO disclosed