SCHEMBL27341007

SCHEMBL27341007

C=CC(Nc1ccccn1)S(=O)(=O)c1ccc(C#Cc2ccc(O)c(C(=O)OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 5/20 0.53
PTPN11 Q06124 1/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
USP2 O75604 1/20 0.38
SLCO2B1 O94956 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
MMP1 P03956 1/20 0.38
ABCB1 P08183 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL27338041 0.86 SLC7A11 (0.54) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL27341664 0.86 SLC7A11 (0.56) SLC7A11PTPN11MEN1KMT2AMAPK1
SCHEMBL8067735 0.81 SLC7A11 (0.79) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL27525188 0.79 SLC7A11 (0.54) SLC7A11PTPN11KMT2AALDH1A1MAPK1
SCHEMBL27343979 0.77 SLC7A11 (0.49) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL27345098 0.73 PTGS2 (0.47) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL27331598 0.72 SLC7A11 (0.48) SLC7A11KMT2AALDH1A1MAPK1MAPT
SCHEMBL8067223 0.70 SLC7A11 (0.81) SLC7A11PTPN11MEN1KMT2AALDH1A1
SCHEMBL8067733 0.70 SLC7A11 (1.00) SLC7A11MEN1KMT2AALDH1A1MAPK1
SCHEMBL27343982 0.69 SLC7A11 (0.42) SLC7A11ALDH1A1MAPK1MAPTCA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1042631-C Novel substituted salicylic acids KABI PHARMACIA AB (SE) 1999-03-24 CN disclosed
CN-1088918-A The salicylic acid compounds of new replacement KABI PHARMACIA AB (SE) 1994-07-06 CN disclosed