SCHEMBL16822335

SCHEMBL16822335

N#[N+]c1ccc(OS(=O)(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CA2 P00918 7/20 0.38
▸ CA9 Q16790 7/20 0.38
▸ CISD1 Q9NZ45 1/20 0.36
▸ STS P08842 7/20 0.34
▸ CA1 P00915 6/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL5678651 0.83 CA2 (0.41) CA2CA9STSCA1
SCHEMBL7910581 0.82 GLA (0.53) GLAGAACA2CA9CISD1
Ammonia Solution, Strong SCHEMBL2908474 0.79 GLA (0.52) GLAGAACA2CA9CISD1
Sulfuric Acid SCHEMBL10535746 0.78 PKM (0.47) GAACA2CA9CA1
SCHEMBL9403438 0.76 CXCR2 (0.41) CA2CA9CA1
Sulfuric Acid SCHEMBL9823993 0.75 PKM (0.48) GAACA2CA9CA1
Sulfuric Acid SCHEMBL5678661 0.75 CA1 (0.47) CA2CA9CA1
SCHEMBL27575542 0.74 MEN1 (0.49) CA2CA9CA1
Sulfuric Acid SCHEMBL3796276 0.73 HTT (0.46) CA2CA9CA1TDP1
SCHEMBL232089 0.73 CISD1 (0.58) GLAGAACA2CA9CISD1

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
US-20150174298-A1 IMPLANTABLE MATERIAL GRAFTED WITH A CELL ANTIPROLIFERATIVE AND/OR ANTIBACTERIAL FILM AND PROCESS OF GRAFTING THEREOF BIOWINTECH (FR) 2015-06-25 — — US disclosed
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