SCHEMBL28899808

SCHEMBL28899808

COC(=O)c1nc(Cl)c2cc(Oc3cccs3)ccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.50
THRB P10828 14/20 0.50
EGLN1 Q9GZT9 7/20 0.50
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
BBOX1 O75936 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
FTO Q9C0B1 1/20 0.40
EGLN2 Q96KS0 1/20 0.37

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
SCHEMBL29923141 1.00 THRA (0.50) THRATHRBEGLN1ERCC1FEN1
SCHEMBL28899887 0.88 THRB (0.50) THRATHRBEGLN1ERCC1FEN1
SCHEMBL14672082 0.83 THRA (0.70) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL28899786 0.76 THRA (0.52) THRATHRBEGLN1ERCC1FEN1
SCHEMBL28899951 0.75 ALDH1A1 (0.56) ERCC1FEN1ERCC4
SCHEMBL29922978 0.75 ALDH1A1 (0.56) ERCC1FEN1ERCC4
SCHEMBL28899800 0.74 THRA (0.74) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL2017928 0.74 EGLN1 (0.58) THRATHRBEGLN1ERCC1FEN1
Acetic Acid SCHEMBL28993798 0.73 THRA (0.65) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL8147532 0.71 NPSR1 (0.42) THRATHRBEGLN1ERCC1FEN1

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