SCHEMBL16521568

SCHEMBL16521568

O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)N(c1cc(-n2c(-c4ccccc4)nc4ccccc42)cc(-n2c(-c4ccccc4)nc4ccccc42)c1)C3=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ RECQL P46063 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ CACNG8 Q8WXS5 1/20 0.39
▸ CACNG2 Q9Y698 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL16521597 0.87 ESR1 (0.64) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL16848509 0.84 ESR1 (0.49) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL22416323 0.79 ESR1 (0.43) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL19757498 0.77 ESR1 (0.42) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL16521566 0.76 NPC1 (0.41) ESR1KDM4EALDH1A1HPGDRAB9A
SCHEMBL19757547 0.76 ESR1 (0.40) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL16848505 0.76 HTT (0.45) KDM4EALDH1A1HPGDRAB9AMEN1
SCHEMBL21524804 0.75 POLB (0.40) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL10041260 0.73 ESR1 (0.67) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL23169649 0.72 ESR1 (0.61) ESR1ESR2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150179714-A1 Crosslinkable, /Polymerizable and Combinations Thereof Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications and Mothod of Making Same. Molaire Consulting 2015-06-25 — — US disclosed
US-20150179714-A1 Crosslinkable, /Polymerizable and Combinations Thereof Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications and Mothod of Making Same. Molaire Consulting 2015-06-25 — — US disclosed
US-20150053894-A1 Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-02-26 — — US disclosed
US-20150053894-A1 Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-02-26 — — US disclosed
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