SCHEMBL3370726

SCHEMBL3370726

N#Cc1cnc(-c2nc(CC(=O)NCCCN3CCOCC3)cs2)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 15/20 0.65
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ SCN9A Q15858 1/20 0.41

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
SCHEMBL3367733 0.95 EGLN1 (0.67) EGLN1IRAK4
SCHEMBL3369826 0.87 EGLN1 (0.70) EGLN1MKNK1MKNK2SCN9A
SCHEMBL3370748 0.86 EGLN1 (0.69) EGLN1MKNK1MKNK2SCN9A
SCHEMBL3368851 0.85 EGLN1 (0.68) EGLN1
SCHEMBL3367691 0.85 EGLN1 (0.66) EGLN1
SCHEMBL3371492 0.82 EGLN1 (0.64) EGLN1
SCHEMBL3369366 0.80 EGLN1 (0.65) EGLN1IRAK4
SCHEMBL3372156 0.79 EGLN1 (1.00) EGLN1
SCHEMBL3403512 0.78 EGLN1 (0.72) EGLN1
SCHEMBL3365898 0.78 EGLN1 (0.67) 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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