SCHEMBL8067735

SCHEMBL8067735

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 5/20 0.79
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
MAPK1 P28482 2/20 0.58
KMT2A Q03164 2/20 0.58
ABCC3 O15438 1/20 0.58
ABCC4 O15439 1/20 0.58
USP2 O75604 1/20 0.58
SLCO2B1 O94956 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
LMNA P02545 1/20 0.58
MMP1 P03956 1/20 0.58
ABCB1 P08183 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
TBXAS1 P24557 1/20 0.58

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
SCHEMBL8067733 0.88 SLC7A11 (1.00) SLC7A11ALDH1A1MEN1MAPK1KMT2A
SCHEMBL8067223 0.84 SLC7A11 (0.81) SLC7A11ALDH1A1MEN1MAPK1KMT2A
SCHEMBL8069398 0.83 SLC7A11 (0.79) SLC7A11ALDH1A1MEN1MAPK1KMT2A
SCHEMBL8069397 0.83 SLC7A11 (0.79) SLC7A11ALDH1A1MEN1MAPK1KMT2A
SCHEMBL27341007 0.81 SLC7A11 (0.53) SLC7A11ALDH1A1MEN1MAPK1KMT2A
SCHEMBL15496560 0.78 BRD4 (0.69) SLC7A11ALDH1A1BRD4POLBKDM4E
SCHEMBL13243363 0.77 MEN1 (0.66) SLC7A11ALDH1A1MEN1MAPK1KMT2A
SCHEMBL13243348 0.77 MEN1 (0.66) SLC7A11ALDH1A1MEN1MAPK1KMT2A
SCHEMBL8068293 0.76 SLC7A11 (0.74) SLC7A11ALDH1A1MEN1MAPK1KMT2A
SCHEMBL8067186 0.75 SLC7A11 (0.77) SLC7A11ALDH1A1MAPK1KMT2ACA1

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