SCHEMBL3371756

SCHEMBL3371756

N#Cc1cnc(-c2nc(CC(=O)N3CCC(c4ccccc4)CC3)cs2)c(O)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 14/20 0.73
▸ SCD5 Q86SK9 3/20 0.42
▸ PANK3 Q9H999 1/20 0.42
▸ SCD O00767 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39

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 0.85 EGLN1 (0.96) EGLN1
SCHEMBL3367930 0.85 EGLN1 (1.00) EGLN1
SCHEMBL3369432 0.84 EGLN1 (0.98) EGLN1
SCHEMBL3371387 0.82 EGLN1 (0.83) EGLN1
SCHEMBL3401328 0.81 EGLN1 (0.72) EGLN1ALDH1A1
SCHEMBL3369828 0.79 EGLN1 (0.68) EGLN1
SCHEMBL3368158 0.79 EGLN1 (1.00) EGLN1ALDH1A1
SCHEMBL3371798 0.79 EGLN1 (0.70) EGLN1
SCHEMBL3368332 0.78 EGLN1 (0.72) EGLN1ALDH1A1
SCHEMBL3404439 0.77 EGLN1 (0.65) EGLN1ALDH1A1

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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