SCHEMBL8556884

SCHEMBL8556884

O=C(O)C(=NO)C(c1ccc(OCc2nc(-c3ccccc3)cs2)cc1)c1ccc(OCc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.56
PPARD Q03181 4/20 0.50
PPARA Q07869 2/20 0.50
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL8556876 1.00 ALOX5 (0.56) ALOX5PPARDPPARAMAPTL3MBTL1
SCHEMBL8557228 0.90 ALOX5 (0.46) ALOX5PPARDPPARAMAPTL3MBTL1
SCHEMBL8555939 0.83 KCNH2 (0.43) ALOX5HDAC6
SCHEMBL8555948 0.83 KCNH2 (0.43) ALOX5HDAC6
SCHEMBL8557153 0.80 MEN1 (0.37) ALOX5PPARDPPARAMAPTL3MBTL1
SCHEMBL8626737 0.80 NPC1 (0.60) ALOX5MAPTL3MBTL1TDP1KDM4E
SCHEMBL8626714 0.80 NPC1 (0.60) ALOX5MAPTL3MBTL1TDP1KDM4E
SCHEMBL8622668 0.79 NPC1 (0.58) ALOX5MAPTL3MBTL1TDP1KDM4E
SCHEMBL8622647 0.79 NPC1 (0.58) ALOX5MAPTL3MBTL1TDP1KDM4E
SCHEMBL8556881 0.78 ALOX5 (0.72) ALOX5PPARDPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed