SCHEMBL3371427

SCHEMBL3371427

N#Cc1cnc(-c2nc(CC(=O)NCc3ccccc3)cs2)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 16/20 1.00
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3367973 0.91 EGLN1 (0.84) EGLN1ALDH1A1GAALMNAHPGD
SCHEMBL3367838 0.91 EGLN1 (0.83) EGLN1ALDH1A1GAA
SCHEMBL3369074 0.91 EGLN1 (1.00) EGLN1
SCHEMBL3367688 0.91 EGLN1 (0.83) EGLN1ALDH1A1GAALMNAHPGD
SCHEMBL3371732 0.91 EGLN1 (0.83) EGLN1ALDH1A1GAA
SCHEMBL3371812 0.90 EGLN1 (0.82) EGLN1
SCHEMBL3368599 0.90 EGLN1 (0.82) EGLN1ALDH1A1GAALMNAHPGD
SCHEMBL3368993 0.90 EGLN1 (0.85) EGLN1
SCHEMBL3368182 0.88 EGLN1 (0.79) EGLN1ALDH1A1GAA
SCHEMBL3368316 0.88 EGLN1 (0.79) EGLN1ALDH1A1GAA

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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