SCHEMBL8559850

SCHEMBL8559850

O=C(O)C(=NO)C(c1ccc(OCc2cccc(-c3ccccn3)n2)cc1)c1ccc(OCc2cccc(-c3ccccn3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP10 Q53GL7 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALOX5 P09917 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
FFAR1 O14842 2/20 0.39
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MAPK14 Q16539 1/20 0.37
SMO Q99835 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL8555939 0.89 KCNH2 (0.43) KCNH2ALOX5MRGPRX4HDAC6
SCHEMBL8555948 0.89 KCNH2 (0.43) KCNH2ALOX5MRGPRX4HDAC6
SCHEMBL8554711 0.88 PARP10 (0.53) PARP10ALOX5MAOBKDM4EALDH1A1
SCHEMBL8554727 0.88 PARP10 (0.53) PARP10ALOX5MAOBKDM4EALDH1A1
SCHEMBL8557228 0.83 ALOX5 (0.46) MEN1KMT2AALOX5KDM4EALDH1A1
SCHEMBL8555246 0.79 GPBAR1 (0.61) ALOX5FFAR1HDAC6
SCHEMBL8554925 0.79 GPBAR1 (0.61) ALOX5FFAR1HDAC6
SCHEMBL8555687 0.78 GPBAR1 (0.60) ALOX5FFAR1HDAC6
SCHEMBL8555104 0.78 GPBAR1 (0.60) ALOX5FFAR1HDAC6
SCHEMBL8557021 0.78 ALOX5 (0.52) ALOX5HDAC6

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