SCHEMBL29965828

SCHEMBL29965828

COc1ccc(COc2ccc(Oc3c(Cl)cc(Br)cc3Cl)cc2C(=O)N[C@H]2CCOC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
HPGDS O60760 2/20 0.43
LRRK2 Q5S007 2/20 0.42
CCR5 P51681 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
DRD3 P35462 1/20 0.38
GSK3A P49840 2/20 0.38
BRD4 O60885 1/20 0.37
CXCR4 P61073 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
SCHEMBL23671341 1.00 KMT2A (0.43) KMT2AHPGDSLRRK2CCR5RAB9A
SCHEMBL23671342 1.00 KMT2A (0.43) KMT2AHPGDSLRRK2CCR5RAB9A
SCHEMBL30611152 0.89 KDM1A (0.44) KMT2AHPGDSRAB9ADRD3GSK3A
SCHEMBL29965837 0.89 KDM1A (0.44) KMT2AHPGDSRAB9ADRD3GSK3A
SCHEMBL23671267 0.89 KDM1A (0.44) KMT2AHPGDSRAB9ADRD3GSK3A
SCHEMBL23671266 0.89 KDM1A (0.44) KMT2AHPGDSRAB9ADRD3GSK3A
SCHEMBL29965819 0.81 THRB (0.49) HPGDS
SCHEMBL23671446 0.81 THRB (0.49) HPGDS
SCHEMBL23671448 0.81 THRB (0.49) HPGDS
SCHEMBL23663381 0.80 THRB (0.42) KMT2AHPGDSRAB9ANPC1

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