SCHEMBL16378796

SCHEMBL16378796

O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1/N=N/c1c(O)ccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.68
▸ CYP2C9 P11712 4/20 0.68
▸ TSHR P16473 2/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ PTPRA P18433 1/20 0.68
▸ PTPRB P23467 1/20 0.68
▸ RAPGEF4 Q8WZA2 1/20 0.68
▸ MAPK1 P28482 4/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ MAPT P10636 3/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ MPL P40238 4/20 0.56
▸ CTRC Q99895 2/20 0.56
▸ HPGD P15428 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ ALOX15 P16050 1/20 0.55

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
SCHEMBL10896861 0.89 CYP1A2 (0.62) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11759913 0.89 CYP1A2 (0.62) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL305524 0.86 TSHR (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL305525 0.86 TSHR (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29355385 0.86 TSHR (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3003885 0.85 CYP1A2 (0.77) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3003884 0.85 CYP1A2 (0.77) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL5356875 0.85 THRB (0.51) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL5356868 0.85 THRB (0.51) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL4223162 0.85 THRB (0.67) 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
US-8932370-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2015-01-13 — — US disclosed
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