SCHEMBL3369829

SCHEMBL3369829

CC(C)N(C(=O)Cc1csc(-c2ncc(C#N)cc2O)n1)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 17/20 0.71
▸ HCRTR1 O43613 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3368158 0.83 EGLN1 (1.00) EGLN1SMN1; SMN2
SCHEMBL3369495 0.80 EGLN1 (0.70) EGLN1
SCHEMBL3371937 0.80 EGLN1 (0.73) EGLN1
SCHEMBL3370648 0.79 EGLN1 (0.66) EGLN1NPC1RAB9ASMN1; SMN2
SCHEMBL3369243 0.78 EGLN1 (0.96) EGLN1
SCHEMBL3367930 0.78 EGLN1 (1.00) EGLN1
SCHEMBL3371510 0.78 EGLN1 (0.70) EGLN1
SCHEMBL3368117 0.78 EGLN1 (0.75) EGLN1
SCHEMBL3371387 0.78 EGLN1 (0.83) EGLN1
SCHEMBL3368332 0.77 EGLN1 (0.72) EGLN1NPC1RAB9ASMN1; SMN2

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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