SCHEMBL24026836

SCHEMBL24026836

O=[N+]([O-])c1cc(N=Nc2c(S(=O)(=O)O)cc3cc(Nc4ccccc4)ccc3c2O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.51
▸ PRMT1 Q99873 2/20 0.47
▸ PRMT3 O60678 1/20 0.47
▸ EP300 Q09472 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ CD40 P25942 1/20 0.47
▸ CD40LG P29965 1/20 0.47
▸ PHLPP2 Q6ZVD8 2/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL24026698 0.93 ENPP2 (0.52) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL20746881 0.89 CD40 (0.50) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL20746885 0.87 CD40 (0.55) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL12849184 0.87 CD40 (0.42) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL17089143 0.87 CD40 (0.50) ENPP2PRMT1CD40CD40LGCYP1A2
SCHEMBL17515780 0.85 CYP1A2 (0.48) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL17515781 0.82 CD40 (0.51) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL17540343 0.80 PRMT1 (0.69) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL17515769 0.80 PRMT1 (0.69) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL17515775 0.79 PRMT3 (0.61) ENPP2PRMT1PRMT3EP300PRMT6

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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