SCHEMBL22064308

SCHEMBL22064308

[N-]=[N+]=NS(=O)(=O)C1=CC=C(OCCCCCCOc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.35
▸ CA2 P00918 9/20 0.35
▸ CA9 Q16790 9/20 0.35
▸ CA12 O43570 8/20 0.35
▸ CA4 P22748 5/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ HRH3 Q9Y5N1 5/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CA5A P35218 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31

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
SCHEMBL19874475 0.85 CA12 (0.44) CA1CA2CA9CA12CA4
SCHEMBL19874527 0.85 CA12 (0.44) CA1CA2CA9CA12CA4
SCHEMBL19887232 0.76 CA1 (0.39) CA1CA2CA9CA12CA4
SCHEMBL14798639 0.73 CA12 (0.38) CA1CA2CA9CA12CA4
SCHEMBL14798633 0.73 CA12 (0.38) CA1CA2CA9CA12CA4
SCHEMBL14805173 0.71 CA1 (0.35) CA1CA2CA9CA12CA4
SCHEMBL14805176 0.71 CA12 (0.54) CA1CA2CA9CA12CA7
SCHEMBL14798582 0.71 TSHR (0.39) CA1CA2CA9CA12TSHR
SCHEMBL14797996 0.71 CA12 (0.36) CA1CA2CA9CA12CA4
SCHEMBL14798078 0.71 CA1 (0.39) CA1CA2CA9CA12CA4

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-3268352-B1 NON EXPLOSIVE BIS-SULFONYL AZIDES DYNAMIT NOBEL GMBH EXPLOSIVSTOFF UND SYSTEMTECHNIK (DE) 2020-06-10 — — EP disclosed
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