SCHEMBL29965837

SCHEMBL29965837

COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(=O)N[C@H]1CCOC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.44
HPGDS O60760 2/20 0.44
GSK3A P49840 2/20 0.40
HTR4 Q13639 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 3/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL23671266 1.00 KDM1A (0.44) KDM1AHPGDSGSK3AHTR4RAB9A
SCHEMBL30611152 1.00 KDM1A (0.44) KDM1AHPGDSGSK3AHTR4RAB9A
SCHEMBL23671267 1.00 KDM1A (0.44) KDM1AHPGDSGSK3AHTR4RAB9A
SCHEMBL29965828 0.89 KMT2A (0.43) HPGDSGSK3ARAB9AKMT2ADRD3
SCHEMBL23671342 0.89 KMT2A (0.43) HPGDSGSK3ARAB9AKMT2ADRD3
SCHEMBL23671341 0.89 KMT2A (0.43) HPGDSGSK3ARAB9AKMT2ADRD3
SCHEMBL29965819 0.87 THRB (0.49) HPGDSSCN9A
SCHEMBL23671446 0.87 THRB (0.49) HPGDSSCN9A
SCHEMBL23671448 0.87 THRB (0.49) HPGDSSCN9A
SCHEMBL23663163 0.87 RAB9A (0.50) KDM1AHTR4RAB9AL3MBTL1KMT2A

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