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Sugi Predict / Compounds / SCHEMBL3368316

SCHEMBL3368316

SCHEMBL3368316

CN(C)c1ccc(CNC(=O)Cc2csc(-c3ncc(C#N)cc3O)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 16/20 0.79
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNA1I Q9P0X4 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL3371732 0.88 EGLN1 (0.83) EGLN1GAAALDH1A1
SCHEMBL3367688 0.88 EGLN1 (0.83) EGLN1GAAALDH1A1
SCHEMBL3371427 0.88 EGLN1 (1.00) EGLN1GAAALDH1A1
SCHEMBL3368182 0.88 EGLN1 (0.79) EGLN1GAAALDH1A1
SCHEMBL3367973 0.87 EGLN1 (0.84) EGLN1GAAALDH1A1
SCHEMBL3367958 0.85 EGLN1 (0.77) EGLN1GAAALDH1A1
SCHEMBL3367838 0.83 EGLN1 (0.83) EGLN1GAAALDH1A1
SCHEMBL3368599 0.82 EGLN1 (0.82) EGLN1GAAALDH1A1
SCHEMBL3371812 0.82 EGLN1 (0.82) EGLN1
SCHEMBL3369252 0.82 EGLN1 (0.78) EGLN1

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
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 — — WO claimed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 — — WO disclosed
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