SCHEMBL29066235

SCHEMBL29066235

Cc1cc(-n2nc(OC(N)=O)c(=O)[nH]c2=O)cc(C)c1Cc1c[nH]c(=O)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 19/20 0.39
▸ THRA P10827 17/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ UGT1A1 P22309 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ SLCO1B1 Q9Y6L6 1/20 0.37
▸ CYP2C8 P10632 1/20 0.32

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
SCHEMBL24407939 0.85 THRB (0.48) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29066234 0.83 THRA (0.49) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29066211 0.83 THRB (0.48) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29527864 0.78 THRB (0.56) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL24408118 0.78 THRB (0.54) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29527275 0.76 THRB (0.41) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29066198 0.76 THRB (0.54) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29527059 0.71 THRB (0.37) THRBTHRA
SCHEMBL29066207 0.70 THRB (0.47) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL24450095 0.69 THRA (0.70) 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
Send feedback