SCHEMBL29066205

SCHEMBL29066205

COc1ncc(Oc2c(Cl)cc(-n3nc(OC(N)=O)c(=O)[nH]c3=O)cc2Cl)cc1N1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.39
THRA P10827 8/20 0.36
CYP2C9 P11712 1/20 0.36
UGT1A1 P22309 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL29066161 0.88 THRA (0.48) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29527163 0.88 THRA (0.48) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29527065 0.84 THRA (0.47) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29066176 0.84 THRA (0.47) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29632803 0.82 THRB (0.52) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29527000 0.80 THRB (0.39) THRBTHRAFFAR1FFAR4L3MBTL1
SCHEMBL29066188 0.79 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL29527699 0.79 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL29066224 0.73 SMN1; SMN2 (0.38) CYP2C9FFAR1FFAR4L3MBTL1
SCHEMBL29526747 0.73 SMN1; SMN2 (0.38) CYP2C9FFAR1FFAR4L3MBTL1

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