SCHEMBL5497802

SCHEMBL5497802

O=C1c2ccccc2C(=O)c2c1c(-c1ccccc1)c1cc(-c3ccccc3)c(-c3ccccc3)cc1c2-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
APAF1 O14727 2/20 0.46
THRB P10828 2/20 0.46
GALK1 P51570 2/20 0.46
BLM P54132 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
XBP1 P17861 1/20 0.46
PTBP1 P26599 1/20 0.46
SMAD3 P84022 1/20 0.46
ATM Q13315 1/20 0.46
MAOB P27338 3/20 0.45
HDAC4 P56524 1/20 0.44

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
SCHEMBL5495757 0.94 HTT (0.44) MAPTMEN1KMT2ALMNAHTT
SCHEMBL14613677 0.86 MAPT (0.44) MAPTMEN1KMT2ALMNAHTT
SCHEMBL1312333 0.85 MAOB (0.49) MAPTMEN1KMT2ALMNAHTT
SCHEMBL23409702 0.83 MEN1 (0.55) MAPTMEN1KMT2ALMNAHTT
SCHEMBL31691770 0.83 MEN1 (0.55) MAPTMEN1KMT2ALMNAHTT
SCHEMBL56762 0.81 MEN1 (0.60) MAPTMEN1KMT2ALMNAHTT
Anthraquinone SCHEMBL28835137 0.81 MEN1 (0.60) MAPTMEN1KMT2ALMNAHTT
SCHEMBL29750116 0.79 MEN1 (0.57) MAPTMEN1KMT2ALMNAHTT
SCHEMBL5497888 0.78 BACE1 (0.38) MAPTMEN1KMT2ALMNAHTT
SCHEMBL13480290 0.77 MAOB (0.42) MAPTMEN1KMT2ALMNAHTT

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
EP-0999256-B1 COMPOUNDS FOR ORGANIC EL ELEMENT AND ORGANIC EL ELEMENT TDK CORP (JP) 2007-02-14 EP disclosed
EP-0999256-B1 COMPOUNDS FOR ORGANIC EL ELEMENT AND ORGANIC EL ELEMENT TDK CORP (JP) 2007-02-14 EP disclosed
US-6399223-B1 Compound for use in organic EL device and organic EL device TDK CORPORATION (JP) 2002-06-04 US disclosed
EP-0999256-A1 COMPOUNDS FOR ORGANIC EL ELEMENT AND ORGANIC EL ELEMENT TDK Corporation (JP) 2000-05-10 EP disclosed