SCHEMBL29259111

SCHEMBL29259111

O=[N+]([O-])c1ccc(O)c(N=Nc2c(S(=O)(=O)O)ccc3ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ TSHR P16473 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ ALOX12 P18054 1/20 0.67
▸ CSNK2A1 P68400 1/20 0.67
▸ PRMT1 Q99873 1/20 0.63
▸ MPL P40238 8/20 0.54
▸ CTRC Q99895 2/20 0.54
▸ HIF1A Q16665 2/20 0.54
▸ PTPRA P18433 1/20 0.54
▸ PTPRB P23467 1/20 0.54
▸ RAPGEF4 Q8WZA2 1/20 0.54
▸ CTRB1 P17538 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48

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
SCHEMBL29259106 0.91 CYP1A2 (0.70) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL7113087 0.87 HPGD (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL30406838 0.87 HPGD (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL7113084 0.87 HPGD (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11854033 0.86 HPGD (0.56) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11854027 0.86 HPGD (0.56) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11854040 0.86 HPGD (0.56) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL27731983 0.84 CYP1A2 (0.72) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL107959 0.83 CYP1A2 (0.63) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL107958 0.83 CYP1A2 (0.63) CYP1A2CYP2C9TSHRCYP2C19HSD17B10

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
CN-117916051-A Separable film laminate and method for separating durable adhesive bonds 德莎欧洲股份公司 2024-04-19 — — CN disclosed
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