SCHEMBL11688527

SCHEMBL11688527

CCOS(=O)(=O)c1ccc2c(N(S(C)(=O)=O)S(C)(=O)=O)cccc2c1OS(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EDNRA P25101 1/20 0.32
▸ CA2 P00918 1/20 0.31

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
SCHEMBL6405654 0.82 TTR (0.36) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL6400356 0.82 CA2 (0.33) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL6401055 0.82 TTR (0.36) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL6405651 0.81 CA2 (0.33) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL11689308 0.76 — —
SCHEMBL11690387 0.72 GAA (0.30) —
SCHEMBL11690379 0.72 — —
SCHEMBL11688529 0.70 SLC2A1 (0.32) —
SCHEMBL11888406 0.69 CYP1A2 (0.61) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL9152668 0.67 TTR (0.41) CYP1A2CYP2C19HTTHIF1ATDP1

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-4013635-A COLOR DIFFUSION TRANSFER PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1977-03-22 — — US disclosed
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