SCHEMBL3367838

SCHEMBL3367838

N#Cc1cnc(-c2nc(CC(=O)NCc3cccnc3)cs2)c(O)c1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 16/20 0.83
▸ ERCC1 P07992 1/20 0.45
▸ ERCC4 Q92889 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ VNN1 O95497 1/20 0.42

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
SCHEMBL3367988 0.91 EGLN1 (0.84) EGLN1ALDH1A1
SCHEMBL3371427 0.91 EGLN1 (1.00) EGLN1ALDH1A1GAA
SCHEMBL3367973 0.90 EGLN1 (0.84) EGLN1ALDH1A1GAA
SCHEMBL3371812 0.87 EGLN1 (0.82) EGLN1ERCC1ERCC4
SCHEMBL3368599 0.87 EGLN1 (0.82) EGLN1ALDH1A1GAA
SCHEMBL3368993 0.86 EGLN1 (0.85) EGLN1
SCHEMBL3367958 0.86 EGLN1 (0.77) EGLN1ALDH1A1GAA
SCHEMBL3367688 0.85 EGLN1 (0.83) EGLN1ALDH1A1GAA
SCHEMBL3371732 0.85 EGLN1 (0.83) EGLN1ALDH1A1GAA
SCHEMBL3369252 0.84 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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