SCHEMBL4407707

SCHEMBL4407707

O=C(O)CNC(=O)c1nc(Br)c2ccc(-c3ccccc3)c(I)c2c1O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 18/20 0.54
THRA P10827 3/20 0.54
THRB P10828 3/20 0.54
FTO Q9C0B1 4/20 0.50
KDM5B Q9UGL1 2/20 0.50
KDM2A Q9Y2K7 2/20 0.50
KDM6B O15054 2/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM3A Q9Y4C1 1/20 0.50
BBOX1 O75936 1/20 0.48

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
SCHEMBL5325511 0.88 EGLN1 (0.61) EGLN1THRATHRBFTOKDM5B
SCHEMBL523085 0.86 EGLN1 (0.57) EGLN1THRATHRBFTOKDM5B
SCHEMBL4413591 0.83 EGLN1 (0.52) EGLN1THRATHRBFTOKDM5B
SCHEMBL4418148 0.82 EGLN1 (0.52) EGLN1THRATHRBFTOKDM5B
SCHEMBL3924454 0.82 EGLN1 (0.65) EGLN1THRATHRBFTOBBOX1
SCHEMBL4414166 0.81 EGLN1 (0.50) EGLN1THRATHRBFTOKDM6B
SCHEMBL4755239 0.81 EGLN1 (0.58) EGLN1THRATHRBFTOKDM5B
SCHEMBL4407725 0.80 EGLN1 (0.54) EGLN1THRATHRBFTOKDM5B
SCHEMBL522936 0.79 EGLN1 (0.57) EGLN1THRATHRBFTOKDM5B
SCHEMBL27755809 0.79 EGLN1 (0.50) EGLN1THRATHRBFTOKDM5B

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