SCHEMBL586000

SCHEMBL586000

NN(C(=O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 3/20 0.66
MEN1 O00255 1/20 0.66
ABCC3 O15438 1/20 0.66
ABCC4 O15439 1/20 0.66
USP2 O75604 1/20 0.66
SLCO2B1 O94956 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
LMNA P02545 1/20 0.66
MMP1 P03956 1/20 0.66
ABCB1 P08183 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
HPGD P15428 1/20 0.66
TSHR P16473 1/20 0.66
NFKB1 P19838 1/20 0.66
TBXAS1 P24557 1/20 0.66
MAPK1 P28482 1/20 0.66
CASP1 P29466 1/20 0.66

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
SCHEMBL5539370 0.84 SLC7A11 (0.71) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL29615016 0.81 SLC7A11 (0.82) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL29720706 0.81 SLC7A11 (0.82) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL576998 0.80 SLC7A11 (0.65) SLC7A11MEN1ABCC3ABCC4USP2
Sulfasalazine SCHEMBL4514 0.80 SLC7A11 (1.00) SLC7A11MEN1ABCC3ABCC4USP2
Sulfasalazine SCHEMBL4515 0.80 SLC7A11 (1.00) SLC7A11MEN1ABCC3ABCC4USP2
Sulfasalazine SCHEMBL5664970 0.80 SLC7A11 (1.00) SLC7A11MEN1ABCC3ABCC4USP2
Sulfasalazine SCHEMBL31174674 0.80 SLC7A11 (1.00) SLC7A11MEN1ABCC3ABCC4USP2
Sulfasalazine SCHEMBL10289061 0.80 SLC7A11 (1.00) SLC7A11MEN1ABCC3ABCC4USP2
Sulfasalazine SCHEMBL487664 0.80 SLC7A11 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP claimed