SCHEMBL16521575

SCHEMBL16521575

O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)N(c1ccc(-n2c4ccccc4c4ccccc42)cc1O)C3=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.42
▸ KMT2A Q03164 8/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ TLR9 Q9NR96 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ POLB P06746 5/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ USP2 O75604 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BRCA1 P38398 1/20 0.36

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
SCHEMBL16521566 0.81 NPC1 (0.41) MEN1KMT2AL3MBTL1HTTMAPT
SCHEMBL31120938 0.74 POLB (0.53) MEN1KMT2AL3MBTL1HTTMAPT
SCHEMBL17622179 0.74 POLB (0.46) MEN1KMT2AL3MBTL1ESR1ESR2
SCHEMBL16521607 0.74 POLB (0.62) MEN1KMT2AL3MBTL1HTTMAPT
SCHEMBL29009445 0.73 KMT2A (0.55) MEN1KMT2AL3MBTL1HTTTLR9
SCHEMBL21524759 0.72 BRD1 (0.34) MEN1KMT2AL3MBTL1HTTTLR9
SCHEMBL14706556 0.72 NPC1 (0.53) MEN1KMT2AL3MBTL1ESR1ESR2
SCHEMBL16848509 0.71 ESR1 (0.49) MEN1KMT2AMAPTESR1ESR2
SCHEMBL17622184 0.70 ESR1 (0.50) MEN1KMT2AL3MBTL1HTTMAPT
SCHEMBL5352001 0.70 SCN2A (0.64) MEN1KMT2AESR1ESR2PIM3

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
Send feedback