SCHEMBL7125355

SCHEMBL7125355

COc1ccc(Oc2c(Br)cc(OC(C)=O)cc2Br)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43
TUBB1 Q9H4B7 2/20 0.43
BACE1 P56817 2/20 0.39
THRA P10827 5/20 0.39
THRB P10828 5/20 0.39

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
SCHEMBL7114999 0.85 THRB (0.49) MEN1KMT2ATHRATHRBTSHR
SCHEMBL2724712 0.84 MEN1 (0.51) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL7112160 0.81 BACE1 (0.52) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL5858756 0.81 THRB (0.62) THRATHRBPPARGCYP1A2HPGD
SCHEMBL7255051 0.80 THRB (0.48) THRATHRBPPARGCYP1A2HPGD
SCHEMBL5859459 0.80 THRA (0.43) THRATHRBTSHRPPARGCYP1A2
SCHEMBL5858136 0.80 THRB (0.39) THRATHRBALDH1A1PPARGCYP1A2
SCHEMBL7121678 0.80 MAPT (0.46) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL7116014 0.79 THRA (0.40) MEN1KMT2ATHRATHRBALDH1A1
SCHEMBL5858138 0.77 THRB (0.49) MEN1KMT2ATHRATHRBTSHR

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