SCHEMBL4414166

SCHEMBL4414166

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 16/20 0.50
THRA P10827 5/20 0.50
THRB P10828 5/20 0.50
FTO Q9C0B1 2/20 0.44
BBOX1 O75936 1/20 0.44
KDM6B O15054 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
SCHEMBL4413591 0.84 EGLN1 (0.52) EGLN1THRATHRBFTOBBOX1
SCHEMBL4407707 0.81 EGLN1 (0.54) EGLN1THRATHRBFTOBBOX1
SCHEMBL4755239 0.79 EGLN1 (0.58) EGLN1THRATHRBFTOBBOX1
SCHEMBL4409985 0.79 EGLN1 (0.47) EGLN1THRATHRBFTOBBOX1
SCHEMBL4418148 0.79 EGLN1 (0.52) EGLN1THRATHRBFTOBBOX1
SCHEMBL3924454 0.79 EGLN1 (0.65) EGLN1THRATHRBFTOBBOX1
SCHEMBL522183 0.78 EGLN1 (0.64) EGLN1THRATHRBFTOBBOX1
SCHEMBL523787 0.78 EGLN1 (0.58) EGLN1THRATHRBFTOBBOX1
SCHEMBL5318572 0.77 EGLN1 (0.50) EGLN1THRATHRBFTOBBOX1
SCHEMBL523085 0.74 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 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