SCHEMBL3369252

SCHEMBL3369252

COc1cccc(CNC(=O)Cc2csc(-c3ncc(C#N)cc3O)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 14/20 0.78
▸ DGAT2 Q96PD7 1/20 0.45
▸ MMP13 P45452 1/20 0.44
▸ RECQL P46063 1/20 0.43

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
SCHEMBL3371427 0.88 EGLN1 (1.00) EGLN1
SCHEMBL3368599 0.87 EGLN1 (0.82) EGLN1
SCHEMBL3371812 0.87 EGLN1 (0.82) EGLN1
SCHEMBL3371822 0.85 EGLN1 (0.78) EGLN1
SCHEMBL3367838 0.84 EGLN1 (0.83) EGLN1
SCHEMBL3367973 0.83 EGLN1 (0.84) EGLN1
SCHEMBL3371732 0.83 EGLN1 (0.83) EGLN1
SCHEMBL3367688 0.83 EGLN1 (0.83) EGLN1
SCHEMBL3368182 0.82 EGLN1 (0.79) EGLN1
SCHEMBL3368316 0.82 EGLN1 (0.79) 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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