SCHEMBL8427282

SCHEMBL8427282

O=C1C=Cc2cc([N+](=O)[O-])ccc2C1=O.[N-]=[N+]=[N-].[N-]=[N+]=[N-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 7/20 0.50
S100A4 P26447 2/20 0.50
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
CES1 P23141 2/20 0.45
CA9 Q16790 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL8427283 0.96 PTPRC (0.46) PTPRCS100A4BCHEACHECES1
SCHEMBL8598895 0.94 PTPRC (0.56) PTPRCS100A4BCHEACHECES1
SCHEMBL7106993 0.83 PTPRC (0.55) PTPRCS100A4BCHEACHECES1
SCHEMBL5886292 0.80 PTPRC (0.56) PTPRCS100A4BCHEACHECES1
SCHEMBL29370560 0.73 PTPRC (0.55) PTPRCS100A4BCHEACHECES1
SCHEMBL15442560 0.73 PTPRC (0.55) PTPRCS100A4BCHEACHECES1
SCHEMBL9158448 0.72 PTPRC (0.64) PTPRCS100A4BCHEACHECES1
SCHEMBL9122070 0.69 HIF1A (0.53) PTPRCS100A4ACHECA9CA1
1,2-Naphthoquinone SCHEMBL9225602 0.69 PTPRC (0.83) PTPRCS100A4BCHEACHECES1
1,2-Naphthoquinone SCHEMBL29368763 0.69 PTPRC (0.83) PTPRCS100A4BCHEACHECES1

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-0698600-B1 Composition, method and test device for determining the presence of leukocyte cells, esterase or protease in a test sample BAYER AG (US) 1999-11-10 EP disclosed
US-5512450-A TEST PAD COMPRISING CARRIER MATRIX WITH HOMOGENEOUSLY INCORPORATED REAGENT INCLUDING HYDROXY-BLOCKED LACTATE ESTER WHICH GENERATES COMPOUND PROVIDING DETECTABLE RESPONSE WHEN HYDROLYZED, BUFFER BAYER CORPORATION (US) 1996-04-30 US disclosed
EP-0698600-A1 Composition, method and test device for determining the presence of leukocyte cells, esterase or protease in a test sample Bayer Corporation (US) 1996-02-28 EP disclosed
US-5464739-A Urinalysis, hydrolysis of lactate ester BAYER CORPORATION (US) 1995-11-07 US disclosed