SCHEMBL4417170

SCHEMBL4417170

O=C(O)CNC(=O)c1nc(Cl)c2cc(Oc3ccccc3)cc(I)c2c1O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.70
THRB P10828 12/20 0.70
EGLN1 Q9GZT9 11/20 0.70
BBOX1 O75936 2/20 0.58
FTO Q9C0B1 2/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
ASPH Q12797 1/20 0.58
KDM8 Q8N371 1/20 0.58

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
SCHEMBL4410710 0.89 THRA (0.71) THRATHRBEGLN1BBOX1FTO
SCHEMBL5315453 0.84 EGLN1 (0.61) THRATHRBEGLN1BBOX1FTO
SCHEMBL4757085 0.83 EGLN1 (0.61) THRATHRBEGLN1BBOX1FTO
SCHEMBL522940 0.83 THRA (1.00) THRATHRBEGLN1BBOX1FTO
SCHEMBL523521 0.83 THRA (0.91) THRATHRBEGLN1BBOX1FTO
SCHEMBL4408333 0.82 EGLN1 (0.55) THRATHRBEGLN1BBOX1FTO
SCHEMBL4408962 0.82 EGLN1 (0.57) THRATHRBEGLN1BBOX1FTO
SCHEMBL4409796 0.81 EGLN1 (0.64) THRATHRBEGLN1BBOX1FTO
SCHEMBL4413599 0.81 EGLN1 (0.58) THRATHRBEGLN1BBOX1FTO
SCHEMBL27434200 0.81 THRA (0.96) THRATHRBEGLN1BBOX1FTO

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 3 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-2009002533-A1 INFLAMMATORY BOWEL DISEASE THERAPIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2008-12-31 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