SCHEMBL3368158

SCHEMBL3368158

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 15/20 1.00
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL3372156 0.88 EGLN1 (1.00) EGLN1
SCHEMBL3371937 0.84 EGLN1 (0.73) EGLN1
SCHEMBL3367930 0.84 EGLN1 (1.00) EGLN1LMNA
SCHEMBL3369243 0.84 EGLN1 (0.96) EGLN1LMNA
SCHEMBL3369432 0.83 EGLN1 (0.98) EGLN1
SCHEMBL3369829 0.83 EGLN1 (0.71) EGLN1SMN1; SMN2
SCHEMBL3369495 0.82 EGLN1 (0.70) EGLN1KDM4E
SCHEMBL3371427 0.82 EGLN1 (1.00) EGLN1KDM4ELMNAALDH1A1GAA
SCHEMBL3368117 0.82 EGLN1 (0.75) EGLN1
SCHEMBL3371387 0.82 EGLN1 (0.83) EGLN1LMNA

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 3 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
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 — — WO disclosed
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