SCHEMBL29612541

SCHEMBL29612541

COc1nn(COCC[Si](C)(C)C)c2ccc(Oc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.39
ACHE P22303 7/20 0.39
CNR1 P21554 7/20 0.39
DGAT1 O75907 1/20 0.32
MAPT P10636 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL28730693 1.00 CNR2 (0.39) CNR2ACHECNR1DGAT1MAPT
SCHEMBL28730654 0.89 MAPT (0.35) CNR2ACHECNR1DGAT1MAPT
SCHEMBL29612490 0.89 MAPT (0.35) CNR2ACHECNR1DGAT1MAPT
SCHEMBL23042371 0.88 CNR1 (0.34) CNR2ACHECNR1DGAT1MAPT
SCHEMBL23042317 0.86 DGAT1 (0.34) CNR2ACHECNR1DGAT1
SCHEMBL29612547 0.83 DGAT1 (0.33) DGAT1
SCHEMBL23042376 0.76 PKM (0.41) MAPTSMN1; SMN2HPGDLMNAKDM4E
SCHEMBL23042395 0.76 MEN1 (0.33) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23042580 0.76 THRB (0.48)
SCHEMBL29612454 0.74 PTPN1 (0.34) DGAT1

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-4017875-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns Pharmaceuticals, Inc. (US) 2022-06-29 EP disclosed
CN-114430743-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2022-05-03 CN disclosed