SCHEMBL5076587

SCHEMBL5076587

CCc1c2cc(Oc3c(Br)cc(NCC(=O)OC(=O)CN)cc3Br)ccc2nn1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.36
THRB P10828 4/20 0.36
PFKFB2 O60825 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PAX8 Q06710 1/20 0.30
ATM Q13315 1/20 0.30

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
Glycine SCHEMBL5076583 0.90 THRA (0.38) THRATHRBPFKFB2PFKFB1PFKFB3
SCHEMBL3145862 0.88 THRA (0.40) THRATHRBGSK3AGSK3BCDK5
SCHEMBL5072172 0.87 THRA (0.33) THRATHRBRAF1BRAFGSK3A
SCHEMBL5072169 0.80 THRA (0.34) THRATHRBGSK3AGSK3BCDK5
SCHEMBL3137145 0.78 THRB (0.41) THRATHRB
SCHEMBL3127279 0.77 THRA (0.41) THRATHRBGSK3AGSK3BCDK5
SCHEMBL3141231 0.76 THRA (0.38) THRATHRB
SCHEMBL5072164 0.73 THRB (0.39) THRATHRB
SCHEMBL3137173 0.69 THRA (0.51) THRATHRB
SCHEMBL3137713 0.66 THRA (0.36) THRATHRB

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-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO disclosed