SCHEMBL29066161

SCHEMBL29066161

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.48
THRB P10828 17/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
CYP2C9 P11712 1/20 0.35
UGT1A1 P22309 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35

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
SCHEMBL29527163 1.00 THRA (0.48) THRATHRBL3MBTL1CYP2C9UGT1A1
SCHEMBL29066205 0.88 THRB (0.39) THRATHRBL3MBTL1CYP2C9UGT1A1
SCHEMBL29066176 0.86 THRA (0.47) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL29527065 0.86 THRA (0.47) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL29632803 0.84 THRB (0.52) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL29527000 0.82 THRB (0.39) THRATHRBL3MBTL1
SCHEMBL29066188 0.79 FFAR1 (0.40)
SCHEMBL29527699 0.79 FFAR1 (0.40)
SCHEMBL23663177 0.77 THRA (0.61) THRATHRBL3MBTL1CYP2C9UGT1A1
SCHEMBL29066224 0.75 SMN1; SMN2 (0.38) L3MBTL1CYP2C9

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