SCHEMBL21361747

SCHEMBL21361747

CC(C)(C)NC(=O)c1nc(Br)c2cc(Oc3ccccc3)ccc2c1O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 13/20 0.71
THRA P10827 8/20 0.71
THRB P10828 8/20 0.71
EGLN2 Q96KS0 11/20 0.63
BBOX1 O75936 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ASPH Q12797 1/20 0.56
KDM8 Q8N371 1/20 0.56
FTO Q9C0B1 1/20 0.56

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
SCHEMBL21361728 0.87 EGLN1 (0.72) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL23507831 0.85 THRA (0.80) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL28437032 0.85 THRA (0.82) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL31501028 0.85 THRA (0.69) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL15268687 0.85 THRA (0.69) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL30395729 0.85 THRA (0.69) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL28556241 0.84 EGLN1 (0.69) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL28435273 0.84 THRA (0.78) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL523237 0.84 EGLN1 (0.71) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL522919 0.83 THRA (1.00) EGLN1THRATHRBBBOX1SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019174631-A1 METHOD FOR PREPARING NORSTAT 上海医药集团股份有限公司 2019-09-19 WO disclosed