SCHEMBL29965819

SCHEMBL29965819

O=C(N[C@H]1CCOC1)c1cc(Oc2c(Cl)cc(Br)cc2Cl)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.49
THRA P10827 4/20 0.44
SCN9A Q15858 5/20 0.40
HPGDS O60760 1/20 0.40
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 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
SCHEMBL23671448 1.00 THRB (0.49) THRBTHRASCN9AHPGDSSCN7A
SCHEMBL23671446 1.00 THRB (0.49) THRBTHRASCN9AHPGDSSCN7A
SCHEMBL30611152 0.87 KDM1A (0.44) SCN9AHPGDS
SCHEMBL29965837 0.87 KDM1A (0.44) SCN9AHPGDS
SCHEMBL23671267 0.87 KDM1A (0.44) SCN9AHPGDS
SCHEMBL23671266 0.87 KDM1A (0.44) SCN9AHPGDS
SCHEMBL29965828 0.81 KMT2A (0.43) HPGDS
SCHEMBL23671341 0.81 KMT2A (0.43) HPGDS
SCHEMBL23671342 0.81 KMT2A (0.43) HPGDS
SCHEMBL23663102 0.76 THRB (0.57) THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244037-B Substituted triazinones as thyroid hormone receptor agonists 诚益生物(美国)公司 2024-10-25 CN disclosed
EP-4090652-A1 SUBSTITUTED TRIAZINONES AS THYROID HORMONE RECEPTOR AGONISTS Eccogene (Shanghai) Co., Ltd. (CN) 2022-11-23 EP disclosed
CN-115244037-A Substituted triazinones as thyroid hormone receptor agonists 上海诚益生物科技有限公司 2022-10-25 CN disclosed