SCHEMBL8066192

SCHEMBL8066192

COc1c(CN2CCCC2=O)ccc(O)c1-c1cccc(NO)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.45
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ACHE P22303 3/20 0.36
NQO2 P16083 1/20 0.36
CD274 Q9NZQ7 2/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ELANE P08246 1/20 0.34
LMNA P02545 1/20 0.34
GRIA2 P42262 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL8058534 0.90 BDKRB1 (0.45) BDKRB1NPC1ATMMAPK1KMT2A
SCHEMBL15906178 0.88 BDKRB1 (0.44) BDKRB1NPC1ATMMAPK1KMT2A
SCHEMBL8069544 0.86 BDKRB1 (0.42) BDKRB1NPC1ATMMAPK1KMT2A
SCHEMBL8065126 0.84 BDKRB1 (0.45) BDKRB1NPC1ATMMAPK1KMT2A
SCHEMBL10440490 0.83 BDKRB1 (0.41) BDKRB1NPC1MAPK1KMT2A
SCHEMBL13578463 0.83 BDKRB1 (0.41) BDKRB1NPC1ATMMAPK1KMT2A
SCHEMBL15906182 0.76 BDKRB1 (0.43) BDKRB1NPC1MAPK1KMT2AMTNR1A
SCHEMBL15906183 0.75 KMT2A (0.44) BDKRB1MAPK1KMT2AHTTL3MBTL1
SCHEMBL8066087 0.75 L3MBTL1 (0.44) BDKRB1KMT2AHTTL3MBTL1ELANE
SCHEMBL13578460 0.74 BDKRB1 (0.41) BDKRB1MAPK1KMT2AMTNR1AMTNR1B

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
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed