SCHEMBL11226810

SCHEMBL11226810

O=C(O)C(Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1I)NC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 14/20 0.47
ACE P12821 1/20 0.39
LIG1 P18858 1/20 0.38
THRB P10828 4/20 0.36
THRA P10827 3/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
ABCB11 O95342 1/20 0.36
F2 P00734 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
ADORA1 P30542 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL1115191 0.85 PCNA (0.52) PCNALIG1THRBTHRALMNA
SCHEMBL4926016 0.85 PCNA (0.52) PCNALIG1THRBTHRALMNA
SCHEMBL9222347 0.80 PCNA (0.44) PCNALMNACYP2D6TSHR
SCHEMBL8988780 0.80 PCNA (0.47) PCNALIG1THRBTHRALMNA
SCHEMBL34943 0.78 PCNA (0.71) PCNALIG1THRBTHRALMNA
SCHEMBL31368013 0.78 PCNA (0.71) PCNALIG1THRBTHRALMNA
SCHEMBL5501440 0.77 PCNA (0.70) PCNALIG1THRBTHRALMNA
SCHEMBL2679290 0.77 PCNA (0.70) PCNALIG1THRBTHRALMNA
Sulfuric Acid SCHEMBL2513306 0.75 PCNA (0.67) PCNALIG1THRBTHRALMNA
SCHEMBL8047744 0.74 THRB (0.60) PCNATHRBTHRALMNACYP2D6

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
US-4332784-A SELENIUM USED IN THYROID RADIOIMMUNOASSAY THE RADIOCHEMICAL CENTRE LIMITED (GB) 1982-06-01 US disclosed
US-4311853-A Selenium derivatives of thyroxine and tri-iodothyronine THE RADIOCHEMICAL CENTRE LIMITED (GB) 1982-01-19 US disclosed