SCHEMBL4412924

SCHEMBL4412924

CC(I)Oc1nc(C(=O)NCC(=O)O)c(O)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.60
BBOX1 O75936 2/20 0.60
FTO Q9C0B1 2/20 0.60
THRA P10827 15/20 0.55
THRB P10828 15/20 0.55
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
ASPH Q12797 1/20 0.52
KDM8 Q8N371 1/20 0.52

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
SCHEMBL523057 0.84 THRB (0.73) EGLN1BBOX1FTOTHRATHRB
SCHEMBL523408 0.82 THRB (0.74) EGLN1BBOX1FTOTHRATHRB
SCHEMBL523407 0.81 THRA (0.69) EGLN1BBOX1FTOTHRATHRB
SCHEMBL522514 0.79 THRB (0.64) EGLN1BBOX1FTOTHRATHRB
SCHEMBL4411871 0.79 EGLN1 (0.60) EGLN1BBOX1FTOTHRATHRB
SCHEMBL522444 0.78 THRA (0.72) EGLN1BBOX1FTOTHRATHRB
SCHEMBL523556 0.78 EGLN1 (0.59) EGLN1BBOX1FTOTHRATHRB
SCHEMBL30274508 0.78 EGLN1 (0.59) EGLN1BBOX1FTOTHRATHRB
SCHEMBL27433214 0.78 THRA (0.80) EGLN1BBOX1FTOTHRATHRB
SCHEMBL522079 0.77 EGLN1 (0.72) EGLN1BBOX1FTOTHRATHRB

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-2008040002-A9 METHODS, COMPOSITIONS AND ARTICLES OF MANUFACTURE FOR HIF MODULATING COMPOUNDS HUTCHINSON FRED CANCER RES (US) 2009-04-16 WO disclosed
WO-2008040002-A2 METHODS, COMPOSITIONS AND ARTICLES OF MANUFACTURE FOR HIF MODULATING COMPOUNDS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-04-03 WO disclosed