SCHEMBL5338181

SCHEMBL5338181

COc1ccc(Oc2nc(C(=O)NCC(=O)O)c(O)c3ccccc23)cc1.COc1cccc(Oc2nc(C(N)=O)c(O)c3ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 17/20 0.67
THRB P10828 17/20 0.67
EGLN1 Q9GZT9 6/20 0.60
BBOX1 O75936 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
ASPH Q12797 1/20 0.59
KDM8 Q8N371 1/20 0.59
FTO Q9C0B1 1/20 0.59

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
SCHEMBL4409826 0.95 THRA (0.73) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL522529 0.92 THRB (0.71) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL5338176 0.91 THRA (0.67) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL522444 0.89 THRA (0.72) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL523407 0.84 THRA (0.69) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL969046 0.81 THRA (0.86) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL523591 0.81 THRA (0.66) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL5032434 0.81 THRA (0.63) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL27433210 0.81 THRB (1.00) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL27434293 0.81 THRB (1.00) 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
WO-2007047194-A2 METHODS FOR TREATING MITF-RELATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2007-04-26 WO disclosed