SCHEMBL5076608

SCHEMBL5076608

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
PLA2G10 O15496 2/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2A Q12879 3/20 0.34
GRIN2B Q13224 3/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
ESR1 P03372 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
SCHEMBL5076613 0.88 KDM4E (0.41) KDM4EMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5072131 0.86 L3MBTL1 (0.38) KDM4EL3MBTL1PLA2G10THRATHRB
SCHEMBL3142072 0.84 ALOX15 (0.43) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5072138 0.74 L3MBTL1 (0.38) KDM4EL3MBTL1ALDH1A1HPGDPLA2G10
SCHEMBL7691857 0.73 L3MBTL1 (0.60) KDM4EMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5072151 0.73 THRB (0.40) THRATHRB
SCHEMBL5072132 0.73 NT5E (0.35) KDM4EMEN1KMT2AALDH1A1THRA
SCHEMBL3140799 0.71 THRA (0.42) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5074424 0.69 CYP1A2 (0.44) KDM4EMEN1KMT2ATHRATHRB
SCHEMBL7699246 0.69 KDM4E (0.49) KDM4EMEN1KMT2ASMN1; SMN2L3MBTL1

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