SCHEMBL8880878

SCHEMBL8880878

O=C1CC=CC2=C1c1cc([N+](=O)[O-])ccc1S(=O)(=O)N=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 3/20 0.35
▸ S100A4 P26447 2/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX5 P09917 4/20 0.33
▸ PTGES O14684 3/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CES1 P23141 1/20 0.33

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
SCHEMBL9007424 0.90 ALOX5 (0.34) PTPRCS100A4CA9CA12MEN1
SCHEMBL8881304 0.76 PTPRC (0.37) PTPRCS100A4CA9MEN1KMT2A
SCHEMBL8880090 0.71 ATM (0.31) —
SCHEMBL8893107 0.67 PTPRC (0.49) PTPRCS100A4CA9MEN1KMT2A
SCHEMBL28960477 0.66 MEN1 (0.56) CA9CA12MEN1KMT2ANPC1
SCHEMBL8879933 0.66 — —
SCHEMBL9007384 0.66 CHRM1 (0.34) PTPRCS100A4CA9MEN1KMT2A
SCHEMBL10422385 0.64 PTPRC (0.49) PTPRCS100A4CA9CA12MEN1
SCHEMBL30059698 0.64 PTPRC (0.49) PTPRCS100A4CA9CA12MEN1
SCHEMBL8881450 0.64 TOP1 (0.34) ALDH1A1KDM4E

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
US-5607929-A Antiviral dibenzothiazepinone derivatives GLAXO WELLCOME INC. (US) 1997-03-04 — — US claimed
US-5607929-A Antiviral dibenzothiazepinone derivatives GLAXO WELLCOME INC. (US) 1997-03-04 — — US disclosed
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