SCHEMBL29066207

SCHEMBL29066207

Cc1c(Oc2c(Cl)cc(-n3nc(OC(N)=O)c(=O)[nH]c3=O)cc2Cl)c[nH]c(=O)c1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 14/20 0.47
▸ THRA P10827 14/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ UGT1A1 P22309 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ SLCO1B1 Q9Y6L6 1/20 0.43
▸ CYP2C8 P10632 1/20 0.40

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
SCHEMBL24407945 0.85 THRB (0.59) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29066225 0.85 THRA (0.61) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29066198 0.82 THRB (0.54) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29066229 0.81 THRA (0.61) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29632800 0.79 THRA (0.65) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29066193 0.77 THRB (0.45) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29066237 0.77 THRB (0.42) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29527306 0.77 THRA (0.48) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL24407958 0.76 THRB (0.59) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29066187 0.75 THRB (0.46) THRBTHRACYP2C9UGT1A1ABCG2

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
CN-116710443-A 2-pyridones as thyroid hormone receptor modulators 阿利戈斯治疗公司 2023-09-05 — — CN disclosed
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