SCHEMBL5137461

SCHEMBL5137461

CS(=O)(=O)[AsH]Cc1ccc2cc(Oc3c(Br)cc(NC(=O)CC(=O)O)cc3Br)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.51
THRB P10828 7/20 0.51
SCN9A Q15858 2/20 0.36
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ACP1 P24666 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 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
SCHEMBL3141417 0.87 THRA (0.51) THRATHRBSCN9AHDAC1HDAC2
SCHEMBL3146203 0.82 THRA (0.58) THRATHRB
SCHEMBL3133764 0.79 THRA (0.54) THRATHRBSCN9A
SCHEMBL3140784 0.76 THRA (0.55) THRATHRBHDAC8HDAC6HDAC1
SCHEMBL3137511 0.74 THRA (0.52) THRATHRB
SCHEMBL3141376 0.72 THRB (0.50) THRATHRBACP1
SCHEMBL3136298 0.70 THRA (0.51) THRATHRBHDAC1HDAC2
SCHEMBL3133322 0.69 HDAC1 (0.37) SCN9AHDAC8HDAC6HDAC1HDAC2
SCHEMBL3138766 0.69 PDE2A (0.43) THRATHRBHDAC8HDAC6HDAC1
SCHEMBL3140699 0.68 THRA (0.54) 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