SCHEMBL9018490

SCHEMBL9018490

O=C(NS(=O)(=O)c1cccc2cccnc12)c1ccc(C(=O)O)nc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 9/20 0.71
▸ MMP2 P08253 1/20 0.58
▸ SLC16A3 O15427 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 1/20 0.46
▸ PKLR P30613 1/20 0.46

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
SCHEMBL9018396 0.88 ALDH1A1 (0.61) P4HTMMMP2SLC16A3ALDH1A1MEN1
SCHEMBL9018280 0.83 P4HTM (1.00) P4HTMSLC16A3ALDH1A1
SCHEMBL8869007 0.82 POLB (0.59) P4HTMMMP2SLC16A3ALDH1A1MEN1
SCHEMBL9018005 0.79 ALDH1A1 (0.53) P4HTMALDH1A1MEN1KMT2AGAA
SCHEMBL7317448 0.78 GAA (0.59) MMP2ALDH1A1MEN1KMT2AGAA
SCHEMBL9018463 0.76 P4HTM (1.00) P4HTM
SCHEMBL8870053 0.75 P4HTM (0.66) P4HTMMEN1KMT2A
SCHEMBL2702246 0.74 ALDH1A1 (0.76) MMP2SLC16A3ALDH1A1MEN1KMT2A
SCHEMBL30708093 0.74 ALDH1A1 (0.76) MMP2SLC16A3ALDH1A1MEN1KMT2A
SCHEMBL9574747 0.74 POLB (0.56) P4HTMALDH1A1MEN1KMT2AGAA

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-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 — — EP claimed
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