SCHEMBL14230070

SCHEMBL14230070

Oc1ccc(Oc2c(I)cc(CCNCl)cc2I)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PCNA P12004 15/20 0.62
▸ LIG1 P18858 1/20 0.53
▸ POLB P06746 1/20 0.46
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL14230042 0.86 PCNA (0.64) PCNAPOLBTHRATHRBMAPK1
SCHEMBL14230043 0.84 THRB (0.56) PCNAPOLBTHRATHRBMAPK1
SCHEMBL22382794 0.83 PCNA (0.67) PCNALIG1POLBTHRATHRB
SCHEMBL14230065 0.83 TAAR5 (0.68) PCNALIG1
SCHEMBL14264010 0.80 PCNA (0.67) PCNALIG1POLBTHRATHRB
SCHEMBL13886598 0.80 TAAR5 (0.68) PCNALIG1POLBTHRATHRB
SCHEMBL14230075 0.79 ESR1 (0.52) —
SCHEMBL16124480 0.78 PCNA (0.63) PCNALIG1
SCHEMBL4005004 0.78 PCNA (0.66) PCNALIG1POLBTHRATHRB
SCHEMBL4004003 0.77 PCNA (0.58) PCNALIG1

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-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 — — US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 — — US disclosed
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