SCHEMBL6629594

SCHEMBL6629594

CCOC(OCC)c1ncc(CC=O)n1C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL5399969 0.74 HTT (0.39) ACHEPTGS2
SCHEMBL4699743 0.67 MLYCD (0.33)
SCHEMBL5248105 0.66
SCHEMBL6635688 0.65 APLNR (0.30)
SCHEMBL6141293 0.61 ACHE (0.51) ACHEPTGS2
SCHEMBL12740542 0.60 SMN1; SMN2 (0.42)
SCHEMBL27166571 0.59 ALDH1A1 (0.33)
SCHEMBL6141292 0.58 L3MBTL1 (0.35) ACHEPTGS2
SCHEMBL13264051 0.58
SCHEMBL5399459 0.58 ACHE (0.32) ACHEPTGS2

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-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 WO disclosed