SCHEMBL8881304

SCHEMBL8881304

O=C1CC=CC2=C1c1cc([N+](=O)[O-])ccc1SN=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 3/20 0.37
▸ S100A4 P26447 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ SNCA P37840 1/20 0.33
▸ CAPN9 O14815 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TXNRD1 Q16881 1/20 0.32
▸ TXNRD3 Q86VQ6 1/20 0.32

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
SCHEMBL9007384 0.89 CHRM1 (0.34) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL8880878 0.76 PTPRC (0.35) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL8893107 0.68 PTPRC (0.49) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL13698354 0.64 PTPRC (0.50) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL8881300 0.63 MEN1 (0.38) PTPRCS100A4CA1CA2CA7
SCHEMBL7282 0.62 VHL (0.57) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL11172085 0.61 CA1 (0.47) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL12393588 0.59 PTPRC (0.62) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL8062143 0.59 PTPRC (0.62) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL31069945 0.59 PTPRC (0.44) PTPRCS100A4TDP1ALDH1A1CYP3A4

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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