SCHEMBL13176268

SCHEMBL13176268

Cc1cc(-n2ncc(=O)[nH]c2=O)cc(I)c1Oc1cc(C(C)C)c(=O)[nH]n1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 19/20 0.72
▸ THRA P10827 17/20 0.72
▸ CYP2C9 P11712 2/20 0.51
▸ UGT1A1 P22309 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ CYP2C8 P10632 1/20 0.49

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
SCHEMBL2924045 0.84 THRA (1.00) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL22632662 0.76 THRB (0.80) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL22632456 0.73 THRB (0.91) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29414827 0.73 THRB (0.91) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29414717 0.72 THRA (0.75) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL22632496 0.71 THRA (0.91) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL22632647 0.71 THRA (0.91) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL24032610 0.70 THRA (0.62) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL23441631 0.70 THRA (0.80) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL4314269 0.70 THRB (1.00) THRBTHRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919878-B1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2010-09-08 — — EP disclosed
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