SCHEMBL23960908

SCHEMBL23960908

COC(=O)CNC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1OC(=O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.61
THRB P10828 13/20 0.61
EGLN1 Q9GZT9 9/20 0.61
BBOX1 O75936 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
ASPH Q12797 1/20 0.61
KDM8 Q8N371 1/20 0.61
FTO Q9C0B1 1/20 0.61
EGLN2 Q96KS0 2/20 0.54

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
SCHEMBL23960909 0.90 EGLN1 (0.57) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL23961052 0.85 EGLN1 (0.59) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL30397088 0.85 EGLN1 (0.49) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL28554576 0.84 EGLN1 (0.48) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL30751026 0.84 THRA (0.84) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL14672081 0.84 THRA (0.84) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL524684 0.80 THRA (0.60) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL522601 0.79 THRA (0.60) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL523084 0.79 THRA (0.74) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL522168 0.77 THRA (0.71) THRATHRBEGLN1BBOX1SLC6A2

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
CN-115867537-A Improved process for the preparation of a rasagiline base 迈兰实验室有限公司 2023-03-28 CN disclosed
WO-2021214785-A1 IMPROVED PROCESS FOR THE PREPARATION OF ROXADUSTAT MYLAN LABORATORIES LIMITED (IN) 2021-10-28 WO disclosed