SCHEMBL16521607

SCHEMBL16521607

O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(O)cc1)C(=O)N(c1cc(-n2c4ccccc4c4ccccc42)cc(-n2c4ccccc4c4ccccc42)c1)C3=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.62
▸ APAF1 O14727 1/20 0.62
▸ ESR1 P03372 7/20 0.51
▸ ESR2 Q92731 4/20 0.51
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ USP2 O75604 4/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NR1H3 Q13133 1/20 0.47
▸ KEAP1 Q14145 2/20 0.45
▸ NFE2L2 Q16236 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ CASP6 P55212 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL31120938 0.85 POLB (0.53) POLBAPAF1KMT2AMEN1USP2
SCHEMBL16521566 0.83 NPC1 (0.41) POLBAPAF1ESR1KMT2AMEN1
SCHEMBL16601645 0.79 POLB (0.85) POLBAPAF1ESR1ESR2KMT2A
SCHEMBL12112509 0.79 POLB (1.00) POLBAPAF1ESR1ESR2KMT2A
SCHEMBL17622184 0.78 ESR1 (0.50) ESR1ESR2KMT2AMEN1USP2
SCHEMBL16521597 0.78 ESR1 (0.64) POLBAPAF1ESR1ESR2KMT2A
SCHEMBL21524805 0.77 ESR1 (0.38) POLBAPAF1ESR1ESR2KMT2A
SCHEMBL17622168 0.74 ESR1 (0.46) ESR1ESR2KMT2AMEN1USP2
SCHEMBL348558 0.74 KDM4E (0.67) POLBESR1ESR2KMT2AMEN1
SCHEMBL30600315 0.74 KDM4E (0.67) POLBESR1ESR2KMT2AMEN1

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
US-9859505-B2 Charge-transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof or organic light emitting diodes and other organic electronics and photonics applications MOLECULAR GLASSES, INC. (US) 2018-01-02 — — 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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