SCHEMBL3368045

SCHEMBL3368045

N#Cc1cnc(-c2ncc(CC(=O)NCCCc3ccccc3)c(=O)[nH]2)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 12/20 0.65
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3371680 0.95 EGLN1 (0.67) EGLN1HPGD
SCHEMBL3369914 0.90 EGLN1 (0.71) EGLN1GAAHPGD
SCHEMBL3371453 0.86 EGLN1 (0.68) EGLN1HPGDTRPV1
SCHEMBL3368761 0.86 EGLN1 (0.60) EGLN1
SCHEMBL3367694 0.85 EGLN1 (0.63) EGLN1
SCHEMBL3368645 0.84 EGLN1 (0.67) EGLN1
SCHEMBL3366469 0.83 EGLN1 (0.72) EGLN1
SCHEMBL3366533 0.83 EGLN1 (0.57) EGLN1TRPV1
SCHEMBL3367971 0.83 EGLN1 (0.78) EGLN1
SCHEMBL3366064 0.83 EGLN1 (0.63) EGLN1GAA

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
Send feedback