SCHEMBL5027693

SCHEMBL5027693

COc1cccc(Sc2nc(C(=O)NCC(=O)O)c(O)c3ccccc23)c1.Cc1ccc(Sc2nc(C(=O)NCC(=O)O)c(O)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.52
THRB P10828 12/20 0.52
EGLN1 Q9GZT9 10/20 0.51
BBOX1 O75936 2/20 0.51
FTO Q9C0B1 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ASPH Q12797 1/20 0.51
KDM8 Q8N371 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL522930 0.94 THRA (0.56) THRATHRBEGLN1BBOX1FTO
SCHEMBL523958 0.89 EGLN1 (0.59) THRATHRBEGLN1BBOX1FTO
SCHEMBL522556 0.88 EGLN1 (0.58) THRATHRBEGLN1BBOX1FTO
SCHEMBL521900 0.83 EGLN1 (0.66) THRATHRBEGLN1BBOX1FTO
SCHEMBL4758417 0.83 EGLN1 (0.52) THRATHRBEGLN1BBOX1FTO
SCHEMBL522660 0.83 EGLN1 (0.59) THRATHRBEGLN1BBOX1FTO
SCHEMBL4755914 0.80 EGLN1 (0.65) THRATHRBEGLN1BBOX1FTO
Acetic Acid SCHEMBL4758815 0.79 THRA (0.48) THRATHRBEGLN1BBOX1FTO
SCHEMBL30274512 0.79 EGLN1 (0.66) THRATHRBEGLN1BBOX1FTO
SCHEMBL521839 0.79 EGLN1 (0.66) THRATHRBEGLN1BBOX1FTO

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
EP-1919463-A2 USE OF HIF 1ALFA MODULATORS FOR TREATMENT OF CANCER FIBROGEN, INC. (US) 2008-05-14 EP disclosed
WO-2006138511-A2 USE OF HIF 1ALFA MODULATORS FOR TREATMENT OF CANCER FIBROGEN, INC. (US) 2006-12-28 WO disclosed