SCHEMBL29414732

SCHEMBL29414732

Cc1cc(C)cc(-n2ncc(=O)[nH]c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.49
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
KMT2A Q03164 1/20 0.45
THRA P10827 3/20 0.43
HCAR1 Q9BXC0 1/20 0.43
P2RX7 Q99572 4/20 0.40
CNR2 P34972 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
HSP90AA1 P07900 1/20 0.37
CCR6 P51684 1/20 0.37

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
SCHEMBL10439124 0.83 NPC1 (0.55) THRBKMT2ANPBWR1MCHR1HSP90AA1
SCHEMBL7919792 0.80 MEN1 (0.56) THRBMEN1NR1I2KMT2ATHRA
SCHEMBL9166052 0.75 MEN1 (0.54) THRBMEN1NR1I2KMT2ATHRA
SCHEMBL11460749 0.74 MEN1 (0.51) THRBMEN1NR1I2KMT2ATHRA
SCHEMBL3348736 0.74 P2RX7 (0.48) THRBMEN1NR1I2KMT2ATHRA
SCHEMBL30504581 0.74 THRB (0.58) THRBTHRAP2RX7
SCHEMBL30504582 0.74 THRB (0.58) THRBTHRAP2RX7
SCHEMBL8961567 0.74 THRB (0.58) THRBTHRAP2RX7
SCHEMBL6242523 0.74 CNOT7 (0.51) THRBMEN1NR1I2KMT2AP2RX7
SCHEMBL3582300 0.73 TSHR (0.42) THRBMEN1NR1I2KMT2AP2RX7

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
WO-2024260309-A1 THR-β RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE METHOD THEREFOR 西威埃医药技术(上海)有限公司 2024-12-26 WO disclosed
EP-3965884-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2022-03-16 EP disclosed