SCHEMBL1477682

SCHEMBL1477682

Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 3/20 0.69
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ PKM P14618 1/20 0.65
▸ ALDH1A1 P00352 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ MAPT P10636 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ STAT3 P40763 2/20 0.56
▸ ATG4B Q9Y4P1 6/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CDK2 P24941 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ HIPK4 Q8NE63 1/20 0.52

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
SCHEMBL958239 0.81 FBP1 (1.00) FBP1MEN1KMT2ACA1CA2
SCHEMBL28523107 0.79 LMNA (0.62) MEN1KMT2ANPC1RAB9APKM
SCHEMBL3234255 0.79 ATG4B (0.68) MEN1KMT2ANPC1RAB9APKM
SCHEMBL22680776 0.79 NPC1 (1.00) MEN1KMT2ANPC1RAB9APKM
SCHEMBL10152517 0.79 ATG4B (0.79) MEN1KMT2ANPC1RAB9APKM
SCHEMBL19512174 0.76 RAB9A (0.67) MEN1KMT2ANPC1RAB9APKM
SCHEMBL6465664 0.75 ALDH1A1 (0.66) FBP1MEN1KMT2ANPC1RAB9A
SCHEMBL9720508 0.75 CA1 (0.73) FBP1MEN1KMT2ANPC1RAB9A
SCHEMBL28519087 0.74 MEN1 (0.67) MEN1KMT2ANPC1RAB9APKM
SCHEMBL3234242 0.74 ATG4B (0.67) MEN1KMT2ANPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1860158-B1 Particles comprising a substrate and an anion-binding layer MERCK PATENT GMBH (DE) 2013-12-04 — — EP disclosed
US-7914893-B2 Particles comprising an anion-binding layer containing anion-forming organic active compounds, and method of making and using thereof MERCK PATENT GMBH (DE) 2011-03-29 — — US disclosed
US-20070275244-A1 Particles MERCK PATENT GMBH 2007-11-29 — — US disclosed
EP-1860158-A2 Particles comprising a substrate and an anion-binding layer MERCK PATENT GmbH (DE) 2007-11-28 — — EP disclosed
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