SCHEMBL4084320

SCHEMBL4084320

O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.38
▸ MMP9 P14780 1/20 0.36
▸ KAT8 Q9H7Z6 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPT P10636 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE5A O76074 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NT5E P21589 1/20 0.32

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
SCHEMBL14378351 0.83 TDP2 (0.38) TDP2MMP9KAT8LMNAHTT
SCHEMBL11201901 0.80 MAPT (0.43) KAT8LMNAHTTPKMALDH1A1
SCHEMBL839391 0.77 MEN1 (0.52) TDP2MMP9LMNAALDH1A1MAPT
SCHEMBL185928 0.77 MEN1 (0.52) TDP2MMP9LMNAALDH1A1MAPT
SCHEMBL839392 0.77 MEN1 (0.52) TDP2MMP9LMNAALDH1A1MAPT
SCHEMBL185927 0.76 MEN1 (0.51) TDP2MMP9LMNAALDH1A1MAPT
SCHEMBL28836941 0.76 MEN1 (0.51) TDP2MMP9LMNAALDH1A1MAPT
SCHEMBL29376127 0.76 MEN1 (0.54) TDP2MMP9LMNAALDH1A1MAPT
SCHEMBL5360382 0.75 MAPT (0.53) TDP2MMP9KAT8LMNAHTT
SCHEMBL5360387 0.75 MAPT (0.53) TDP2MMP9KAT8LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024442-A1 TRISAZO COMPOUNDS, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM Imaging Colorants Limited (GB) 2009-02-18 — — EP disclosed
WO-2007132150-A1 TRISAZO COMPOUNDS, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-11-22 — — WO disclosed
US-6251083-B1 Interstitial fluid methods and devices for determination of an analyte in the body AMIRA MEDICAL 2001-06-26 — — US disclosed
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