SCHEMBL24026725

SCHEMBL24026725

O=[N+]([O-])c1cc(N=Nc2c(O)ccc3ccccc23)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ TSHR P16473 3/20 0.51
▸ ALOX15 P16050 3/20 0.51
▸ ALOX12 P18054 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ MAPT P10636 9/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TP53 P04637 1/20 0.49

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
SCHEMBL29355385 0.87 TSHR (0.57) HPGDHSD17B10TSHRALOX15ALOX12
SCHEMBL305524 0.87 TSHR (0.57) HPGDHSD17B10TSHRALOX15ALOX12
SCHEMBL305525 0.87 TSHR (0.57) HPGDHSD17B10TSHRALOX15ALOX12
SCHEMBL11759913 0.85 CYP1A2 (0.62) HPGDHSD17B10TSHRALOX15ALOX12
SCHEMBL10896861 0.85 CYP1A2 (0.62) HPGDHSD17B10TSHRALOX15ALOX12
SCHEMBL7113087 0.85 HPGD (0.57) HPGDHSD17B10TSHRALOX15ALOX12
SCHEMBL7113084 0.85 HPGD (0.57) HPGDHSD17B10TSHRALOX15ALOX12
SCHEMBL30406838 0.85 HPGD (0.57) HPGDHSD17B10TSHRALOX15ALOX12
SCHEMBL107959 0.84 CYP1A2 (0.63) HPGDHSD17B10TSHRALOX15ALOX12
SCHEMBL107958 0.84 CYP1A2 (0.63) HPGDHSD17B10TSHRALOX15ALOX12

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-11519017-B2 Kit for diagnosing infection with Methicillin-resistant Staphylococcus aureus (MRSA) by detecting magnesium ions BIOACTS CORPORATION (KR) 2022-12-06 — — US disclosed
US-20210355521-A1 KIT FOR DIAGNOSING INFECTION WITH METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS (MRSA) BY DETECTING MAGNESIUM IONS BIOACTS CORPORATION (KR) 2021-11-18 — — US disclosed
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