Sugi Predict

Sugi Predict / Compounds / SCHEMBL6984285

SCHEMBL6984285

SCHEMBL6984285

CC(C)n1nc(-c2cc(NS(C)(=O)=O)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.36
▸ SLC5A1 P13866 13/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL6985626 0.82 SLC5A1 (0.43) SLC5A1
SCHEMBL6985081 0.81 SLC5A1 (0.42) ADORA3SLC5A1ALDH1A1
SCHEMBL6983748 0.81 GRM5 (0.46) ADORA3SLC5A1ALDH1A1GAA
SCHEMBL6986371 0.79 ALDH1A1 (0.41) ALDH1A1GAA
SCHEMBL6987355 0.79 ALDH1A1 (0.38) ALDH1A1GAA
SCHEMBL6986812 0.77 ALDH1A1 (0.40) PTGS2ALDH1A1GAA
SCHEMBL6979355 0.77 SOAT2 (0.42) SLC5A1
SCHEMBL6985846 0.76 BCL2 (0.41) SLC5A1ALDH1A1GAA
SCHEMBL6981802 0.76 ALDH1A1 (0.42) ALDH1A1GAA
SCHEMBL6982469 0.75 CYP2C9 (0.39) ALDH1A1GAA

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
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 — — EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 — — WO disclosed