SCHEMBL5074381

SCHEMBL5074381

CC(=S)Nc1ccc(Oc2c(Br)cc(CCC(=O)O)cc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 17/20 0.56
▸ THRB P10828 17/20 0.56
▸ PCNA P12004 2/20 0.46
▸ ESR1 P03372 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ NR3C2 P08235 1/20 0.44
▸ AR P10275 1/20 0.44
▸ FFAR1 O14842 2/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
SCHEMBL3127267 0.89 THRA (0.44) THRATHRBPCNA
SCHEMBL5859480 0.81 THRA (0.64) THRATHRBPCNAESR1NR3C1
SCHEMBL5073534 0.78 THRA (0.60) THRATHRBPCNAESR1NR3C1
SCHEMBL3912492 0.77 SMN1; SMN2 (0.48) THRATHRBPCNA
SCHEMBL3127272 0.74 HTT (0.46) THRATHRBPOLB
SCHEMBL28801013 0.74 THRA (0.56) THRATHRBPCNAESR1NR3C1
SCHEMBL3137350 0.74 HPGD (0.52) THRATHRB
SCHEMBL7069928 0.71 THRA (1.00) THRATHRB
SCHEMBL5381964 0.71 THRA (0.60) THRATHRBPCNAFFAR1
SCHEMBL3131477 0.70 THRB (0.48) THRATHRBPCNA

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
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