SCHEMBL7122865

SCHEMBL7122865

CC(=O)Oc1cc(Br)c(Oc2ccc(N)c(N)c2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.46
THRA P10827 4/20 0.39
THRB P10828 4/20 0.39
CYP19A1 P11511 1/20 0.39
BACE1 P56817 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FLT3 P36888 1/20 0.38
CA2 P00918 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37

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
SCHEMBL3925371 0.85 CYP19A1 (0.51) THRATHRBCYP19A1BACE1LMNA
SCHEMBL7114898 0.83 MAPT (0.43) LMNAMAPTKDM4EMEN1CYP3A4
SCHEMBL7112160 0.81 BACE1 (0.52) BACE1LMNAMAPTKDM4EMEN1
SCHEMBL8147687 0.81 FLT3 (0.53) NR4A1CYP19A1LMNAMAPTKDM4E
SCHEMBL2932995 0.79 LMNA (0.47) CYP19A1LMNAMAPTKDM4EMEN1
SCHEMBL4299281 0.77 THRB (0.43) NR4A1THRATHRBLMNA
SCHEMBL7114999 0.77 THRB (0.49) THRATHRBLMNAMAPTMEN1
SCHEMBL7125355 0.76 MEN1 (0.45) THRATHRBBACE1LMNAMEN1
SCHEMBL5859435 0.75 THRB (0.60) THRATHRB
SCHEMBL13864993 0.75 BACE1 (0.50) CYP19A1BACE1LMNAMAPTKDM4E

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-1358175-A2 PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-11-05 EP disclosed
WO-2002062780-A2 PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2002-08-15 WO disclosed