SCHEMBL3371798

SCHEMBL3371798

N#Cc1cnc(-c2nc(CC(=O)N3CCCC3C(=O)O)cs2)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 15/20 0.70
▸ DPP4 P27487 2/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ CPT2 P23786 2/20 0.34
▸ CPT1A P50416 2/20 0.34
▸ CPT1B Q92523 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
SCHEMBL3368318 0.86 EGLN1 (0.68) EGLN1DPP4DPP8DPP9
SCHEMBL3367930 0.83 EGLN1 (1.00) EGLN1
SCHEMBL3369243 0.83 EGLN1 (0.96) EGLN1
SCHEMBL3369432 0.82 EGLN1 (0.98) EGLN1
SCHEMBL3368158 0.80 EGLN1 (1.00) EGLN1
SCHEMBL3371937 0.77 EGLN1 (0.73) EGLN1
SCHEMBL3368332 0.76 EGLN1 (0.72) EGLN1
SCHEMBL3401328 0.76 EGLN1 (0.72) EGLN1
SCHEMBL3369828 0.76 EGLN1 (0.68) EGLN1
SCHEMBL3367676 0.75 EGLN1 (0.56) 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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