SCHEMBL6824492

SCHEMBL6824492

COc1cc(C)cc(/C=N\O)c1O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 11/20 0.64
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 1/20 0.44
▸ ACHE P22303 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6824495 1.00 ERN1 (0.64) ERN1MAPTGAAKMT2AHPGD
SCHEMBL29365000 0.82 ERN1 (0.54) ERN1MAPTGAAKMT2AHPGD
SCHEMBL12858742 0.82 ERN1 (0.54) ERN1MAPTGAAKMT2AHPGD
SCHEMBL16969061 0.79 GAA (0.46) ERN1MAPTGAAKMT2AHPGD
SCHEMBL16969062 0.79 GAA (0.46) ERN1MAPTGAAKMT2AHPGD
SCHEMBL881403 0.78 ERN1 (1.00) ERN1MAPT
SCHEMBL29956082 0.78 ERN1 (1.00) ERN1MAPT
SCHEMBL14922836 0.77 MAPT (0.43) ERN1MAPTGAAKMT2AHPGD
SCHEMBL8942958 0.77 MAPT (0.43) ERN1MAPTGAAKMT2AHPGD
SCHEMBL8942952 0.77 MAPT (0.43) ERN1MAPTGAAKMT2AHPGD

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
WO-2004067518-A1 SUBSTITUTED PYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-12 — — WO disclosed
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