SCHEMBL5072131

SCHEMBL5072131

COc1cc(Cl)c2cc(Oc3c(Br)cc([O])cc3Br)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PLA2G10 O15496 2/20 0.36
BCHE P06276 12/20 0.35
ACHE P22303 12/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CHRM1 P11229 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5072138 0.88 L3MBTL1 (0.38) L3MBTL1PLA2G10BCHEACHETHRA
SCHEMBL5076608 0.86 KDM4E (0.41) L3MBTL1PLA2G10BCHEACHETHRA
SCHEMBL5072132 0.85 NT5E (0.35) BCHEACHETHRATHRBKDM4E
SCHEMBL3140799 0.84 THRA (0.42) L3MBTL1PLA2G10THRATHRBKDM4E
SCHEMBL16650948 0.74 L3MBTL1 (0.58) L3MBTL1BCHEACHETHRBGRIN1
SCHEMBL5076613 0.74 KDM4E (0.41) L3MBTL1PLA2G10BCHEACHETHRA
SCHEMBL5072134 0.72 ESR1 (0.38) THRATHRBKDM4ELMNA
SCHEMBL5072151 0.72 THRB (0.40) THRATHRB
SCHEMBL3142072 0.71 ALOX15 (0.43) L3MBTL1PLA2G10THRATHRBKDM4E
SCHEMBL3140925 0.71 THRA (0.45) THRATHRBKDM4E

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