SCHEMBL24026914

SCHEMBL24026914

O=[N+]([O-])c1cc(N=Nc2c(O)cccc2O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.50
▸ CYP1A2 P05177 3/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ NSD2 O96028 2/20 0.42
▸ MMP14 P50281 2/20 0.42
▸ CASP6 P55212 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ PTPRA P18433 1/20 0.40
▸ PTPRB P23467 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40

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
SCHEMBL107959 0.85 CYP1A2 (0.63) PRMT1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL107958 0.85 CYP1A2 (0.63) PRMT1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL1435931 0.84 CYP1A2 (0.62) PRMT1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL3188963 0.84 CYP1A2 (0.62) PRMT1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL1435926 0.84 CYP1A2 (0.62) PRMT1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL9881365 0.82 ALDH1A1 (0.53) PRMT1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL10897082 0.81 CYP1A2 (0.46) PRMT1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL12955146 0.80 TSHR (0.47) PRMT1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL11577560 0.78 CA12 (0.50) CYP2C9CYP2C19HSD17B10HPGDALDH1A1
SCHEMBL11577562 0.78 CA12 (0.50) CYP2C9CYP2C19HSD17B10HPGDALDH1A1

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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