SCHEMBL8890119

SCHEMBL8890119

O=C(O)C=NOCc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.57
PARP10 Q53GL7 1/20 0.53
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 1/20 0.52
MAOB P27338 1/20 0.50
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
ALOX5AP P20292 1/20 0.42
ADAMTS4 O75173 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8890694 0.81 ALOX5 (0.68) ALOX5FFAR1
SCHEMBL8554718 0.81 ALOX5 (0.69) ALOX5PARP10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8890266 0.80 ALOX5 (0.67) ALOX5FFAR1
SCHEMBL7072590 0.78 HCAR2 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5873410 0.78 HCAR2 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL10746742 0.78 HCAR2 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8908490 0.78 PARP10 (0.53) ALOX5PARP10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4013173 0.77 PARP10 (0.62) ALOX5PARP10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7742884 0.76 KDM4E (0.65) ALOX5PARP10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7742881 0.76 KDM4E (0.65) ALOX5PARP10ALDH1A1SMN1; SMN2KDM4E

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-1997012866-A1 BIS-HETEROARYLYLMETHOXYPHENYLKETONE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 WO claimed