SCHEMBL28030573

SCHEMBL28030573

NS(=O)(=O)c1ccc(Cc2cccs2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 12/20 0.49
▸ CA1 P00915 9/20 0.49
▸ CA12 O43570 4/20 0.49
▸ CA9 Q16790 4/20 0.49
▸ VCAM1 P19320 1/20 0.48
▸ POLB P06746 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CACNA1B Q00975 2/20 0.47
▸ APBA1 Q02410 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ DUSP3 P51452 1/20 0.47
▸ PTPN5 P54829 1/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ CA5A P35218 7/20 0.45
▸ CA7 P43166 6/20 0.45
▸ CA5B Q9Y2D0 6/20 0.45
▸ CA13 Q8N1Q1 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL1958230 0.79 MAPT (0.56) CA2CA1CA12CA9POLB
SCHEMBL28862587 0.77 CA1 (0.46) CA2CA1CA12CA9POLB
SCHEMBL5838871 0.77 HPGD (0.52) POLBMEN1KMT2AL3MBTL1BLM
SCHEMBL7944958 0.73 ALDH1A1 (0.50) POLBMEN1KMT2AL3MBTL1BLM
SCHEMBL28225354 0.72 L3MBTL1 (0.61) CA2CA1CA12CA9POLB
SCHEMBL27893523 0.70 DOT1L (0.52) CA2CA1CA12CA9POLB
SCHEMBL27915770 0.69 CA2 (0.72) CA2CA1CA12CA9VCAM1
SCHEMBL1958228 0.69 POLB (0.48) CA2CA1CA12CA9VCAM1
SCHEMBL29450348 0.68 KMT2A (0.43) POLBMEN1KMT2AMAPTCTDSP1
SCHEMBL1874184 0.68 CYP2C9 (0.42) CA2CA1CA12CA9POLB

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-106008322-A BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2016-10-12 — — CN disclosed
CN-102947285-B Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBVIE (US) 2015-08-26 — — CN disclosed
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