SCHEMBL29527140

SCHEMBL29527140

CCCCOC(=O)Nc1nn(-c2cc(Cl)c(Oc3ccc(=O)n(C(C)C(F)(F)F)c3)c(Cl)c2)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.47
THRB P10828 13/20 0.47
CYP2C9 P11712 3/20 0.34
CYP2C8 P10632 1/20 0.34
UGT1A1 P22309 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL29526603 0.93 THRB (0.48) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL29527489 0.88 THRB (0.60) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL29526659 0.84 THRB (0.46) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL29526823 0.83 THRB (0.47) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL29527302 0.83 THRB (0.43) THRATHRBCYP2C9SMN1; SMN2NPC1
SCHEMBL29632801 0.81 THRB (0.64) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL29527126 0.81 THRA (0.55) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL29526862 0.80 THRB (0.55) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24408059 0.80 THRB (0.53) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL29527347 0.78 THRA (0.56) THRATHRBCYP2C9CYP2C8UGT1A1

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