SCHEMBL4418148

SCHEMBL4418148

O=C(O)CNC(=O)c1nc(Br)c2ccc(Sc3ccccc3)c(I)c2c1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 17/20 0.52
THRA P10827 5/20 0.52
THRB P10828 5/20 0.52
FTO Q9C0B1 5/20 0.46
BBOX1 O75936 2/20 0.46
KDM5B Q9UGL1 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
KDM6B O15054 2/20 0.41
KDM4C Q9H3R0 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
EGLN2 Q96KS0 1/20 0.39

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
SCHEMBL4411721 0.89 EGLN1 (0.58) EGLN1THRATHRBFTOBBOX1
SCHEMBL4407707 0.82 EGLN1 (0.54) EGLN1THRATHRBFTOBBOX1
SCHEMBL4412050 0.82 EGLN1 (0.52) EGLN1THRATHRBFTOBBOX1
SCHEMBL4413591 0.81 EGLN1 (0.52) EGLN1THRATHRBFTOBBOX1
SCHEMBL3924454 0.80 EGLN1 (0.65) EGLN1THRATHRBFTOBBOX1
SCHEMBL4414166 0.79 EGLN1 (0.50) EGLN1THRATHRBFTOBBOX1
SCHEMBL522272 0.79 EGLN1 (0.61) EGLN1THRATHRBFTOBBOX1
SCHEMBL523034 0.79 EGLN1 (0.67) EGLN1THRATHRBFTOBBOX1
SCHEMBL4755239 0.78 EGLN1 (0.58) EGLN1THRATHRBFTOBBOX1
SCHEMBL523085 0.75 EGLN1 (0.57) EGLN1THRATHRBFTOBBOX1

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