Sugi Predict

Sugi Predict / Compounds / SCHEMBL7896088

SCHEMBL7896088

SCHEMBL7896088

O=S(=O)(C=Cc1ccc2occc2c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.51
▸ CA2 P00918 5/20 0.47
▸ CA12 O43570 4/20 0.47
▸ EGFR P00533 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ NFE2L2 Q16236 6/20 0.36
▸ IDO1 P14902 1/20 0.35

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
SCHEMBL7896085 1.00 CYP2A6 (0.51) CYP2A6CA2CA12EGFRTLR9
SCHEMBL7907841 0.81 PGR (0.49) CYP2A6CA2CA12EGFR
SCHEMBL7907844 0.81 PGR (0.49) CYP2A6CA2CA12EGFR
SCHEMBL29022475 0.79 RELA (0.56) EGFRTLR9
SCHEMBL30987464 0.79 RELA (0.56) EGFRTLR9
SCHEMBL4449899 0.78 CYP2A6 (0.59) CYP2A6CTNNB1WNT3ANFE2L2IDO1
SCHEMBL17821821 0.73 CYP2A6 (0.61) CYP2A6CTNNB1WNT3AIDO1
SCHEMBL17821819 0.73 CYP2A6 (0.61) CYP2A6CTNNB1WNT3AIDO1
SCHEMBL5572469 0.72 TLR9 (0.64) EGFRTLR9NFE2L2
SCHEMBL29149692 0.72 TLR9 (0.64) EGFRTLR9NFE2L2

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-6201131-B1 REACTING A 2-(ARYLSUFONYL) ETHANOL DERIVATIVE WITH AN ACID ANHYDRIDE IN PRESENCE OF A BASE, FURTHER REACTING THIS WITH AN AROMATIC HALIDE IN THE PRESENCE OF A PALLADIUM CATALYST; USEFUL AS INTERMEDIATES TO DRUGS, AGROCHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-13 — — US disclosed