SCHEMBL5495757

SCHEMBL5495757

O=C1c2cc(-c3ccccc3)c(-c3ccccc3)cc2C(=O)c2c1c(-c1ccccc1)c1cc(-c3ccccc3)c(-c3ccccc3)cc1c2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.38
PARP1 P09874 1/20 0.38
APAF1 O14727 1/20 0.38
THRB P10828 1/20 0.38
XBP1 P17861 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
SCHEMBL5497802 0.94 MAPT (0.46) HTTLMNAMAPTHDAC4HDAC2
SCHEMBL14613677 0.92 MAPT (0.44) HTTLMNAMAPTHDAC4HDAC2
SCHEMBL27501679 0.82 MEN1 (0.50) HTTLMNAMAPTHDAC4HDAC2
SCHEMBL10057985 0.80 ALOX5 (0.49) HTTLMNAMAPTSMN1; SMN2HPGD
SCHEMBL1312333 0.78 MAOB (0.49) HTTLMNAMAPTHDAC4HDAC2
SCHEMBL56762 0.78 MEN1 (0.60) HTTLMNAMAPTHDAC4HDAC2
Anthraquinone SCHEMBL28835137 0.78 MEN1 (0.60) HTTLMNAMAPTHDAC4HDAC2
SCHEMBL19810034 0.77 ESR1 (0.48) HTTLMNAMAPTHPGDMAOB
SCHEMBL29750116 0.76 MEN1 (0.57) HTTLMNAMAPTHDAC4HDAC2
SCHEMBL5497888 0.75 BACE1 (0.38) HTTLMNAMAPTHDAC4HDAC2

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
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