SCHEMBL29526862

SCHEMBL29526862

CCCCOC(=O)Nc1nn(-c2cc(Cl)c(Oc3c[nH]c(=O)c(C(C)C)c3)c(Cl)c2)c(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.55
THRA P10827 16/20 0.55
CYP2C9 P11712 3/20 0.43
UGT1A1 P22309 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
CYP2C8 P10632 1/20 0.41
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL29527103 0.91 THRB (0.45) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29527838 0.88 THRB (0.44) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29414808 0.86 THRA (0.75) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29414750 0.86 THRB (0.50) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29632795 0.85 THRB (0.74) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29527306 0.85 THRA (0.48) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29414768 0.84 THRA (0.54) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29526603 0.83 THRB (0.48) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29526823 0.81 THRB (0.47) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29414751 0.80 THRA (0.45) THRBTHRACYP2C9NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240730-A1 2-PYRIDONES AS THYROID HORMONE RECEPTOR MODULATORS Aligos Therapeutics, Inc. (US) 2023-09-13 EP disclosed
WO-2022099044-A1 2-PYRIDONES AS THYROID HORMONE RECEPTOR MODULATORS ALIGOS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed