SCHEMBL3369828

SCHEMBL3369828

CCN(CC)C1CCN(C(=O)Cc2csc(-c3ncc(C#N)cc3O)n2)C1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 15/20 0.68
▸ KDM1A O60341 1/20 0.42
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL3369243 0.82 EGLN1 (0.96) EGLN1
SCHEMBL3367930 0.82 EGLN1 (1.00) EGLN1
SCHEMBL3371387 0.81 EGLN1 (0.83) EGLN1
SCHEMBL3369432 0.81 EGLN1 (0.98) EGLN1
SCHEMBL3368332 0.81 EGLN1 (0.72) EGLN1
SCHEMBL3371756 0.79 EGLN1 (0.73) EGLN1
SCHEMBL3371798 0.76 EGLN1 (0.70) EGLN1
SCHEMBL3370349 0.76 EGLN1 (0.65) EGLN1
SCHEMBL13496370 0.75 LMNA (0.47) KDM1AJAK1
SCHEMBL3368158 0.75 EGLN1 (1.00) 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 1 patent. 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 disclosed
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