SCHEMBL28899800

SCHEMBL28899800

Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3cccs3)cc12

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.74
THRB P10828 14/20 0.74
EGLN1 Q9GZT9 8/20 0.74
BBOX1 O75936 1/20 0.74
SLC6A2 P23975 1/20 0.74
SLC6A3 Q01959 1/20 0.74
ASPH Q12797 1/20 0.74
KDM8 Q8N371 1/20 0.74
FTO Q9C0B1 1/20 0.74
EGLN2 Q96KS0 1/20 0.61

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
Roxadustat SCHEMBL29350689 0.86 THRA (1.00) THRATHRBEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL523705 0.86 THRA (1.00) THRATHRBEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL29892426 0.86 THRA (1.00) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL28899786 0.85 THRA (0.52) THRATHRBEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421351 0.85 THRA (0.98) THRATHRBEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421446 0.85 THRA (0.98) THRATHRBEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421357 0.85 THRA (0.98) THRATHRBEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421135 0.85 THRA (0.98) THRATHRBEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421447 0.85 THRA (0.98) THRATHRBEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421137 0.85 THRA (0.98) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107382986-B 4-hydroxy-1-methylisoquinoline derivatives and their use in increasing endogenous erythropoietin 江苏艾立康医药科技有限公司 2022-09-20 CN disclosed