SCHEMBL4409985

SCHEMBL4409985

O=C(O)CNC(=O)c1nc(Br)c2cc(C(F)(F)F)cc(I)c2c1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 17/20 0.47
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
BBOX1 O75936 1/20 0.40
FTO Q9C0B1 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
EGLN3 Q9H6Z9 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
SCHEMBL4408921 0.83 EGLN1 (0.49) EGLN1THRATHRBBBOX1FTO
SCHEMBL523787 0.82 EGLN1 (0.58) EGLN1THRATHRBBBOX1FTO
SCHEMBL522183 0.82 EGLN1 (0.64) EGLN1THRATHRBBBOX1FTO
SCHEMBL4755239 0.81 EGLN1 (0.58) EGLN1THRATHRBBBOX1FTO
SCHEMBL4407725 0.80 EGLN1 (0.54) EGLN1THRATHRBBBOX1FTO
SCHEMBL4414166 0.79 EGLN1 (0.50) EGLN1THRATHRBBBOX1FTO
SCHEMBL4410710 0.78 THRA (0.71) EGLN1THRATHRBBBOX1FTO
SCHEMBL4412050 0.78 EGLN1 (0.52) EGLN1THRATHRBBBOX1FTO
SCHEMBL4757070 0.76 THRA (0.52) EGLN1THRATHRBBBOX1FTO
SCHEMBL4413591 0.74 EGLN1 (0.52) EGLN1THRATHRBBBOX1FTO

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