SCHEMBL16521566

SCHEMBL16521566

O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)N(c1cc(-n2c4ccccc4c4ccccc42)cc(-n2c4ccccc4c4ccccc42)c1)C3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ USP2 O75604 5/20 0.40
▸ KEAP1 Q14145 4/20 0.40
▸ NFE2L2 Q16236 4/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ATM Q13315 2/20 0.40
▸ POLB P06746 3/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ APAF1 O14727 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
SCHEMBL16521607 0.83 POLB (0.62) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL31120938 0.82 POLB (0.53) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL16521575 0.81 MEN1 (0.42) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL16521568 0.76 ESR1 (0.47) RAB9AKDM4EKMT2AALDH1A1MAPT
SCHEMBL14242421 0.76 ALDH1A1 (0.54) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL24221079 0.74 KDM4E (0.53) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL17622184 0.74 ESR1 (0.50) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL13031248 0.74 ATM (0.58) KDM4EKMT2AALDH1A1HTTL3MBTL1
SCHEMBL21524805 0.74 ESR1 (0.38) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL12188818 0.73 KDM4E (0.39) KDM4EKMT2AALDH1A1L3MBTL1ATM

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-10461269-B2 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 method of making same MOLECULAR GLASSES, INC. (US) 2019-10-29 — — US disclosed
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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