SCHEMBL7984763

SCHEMBL7984763

O=C1c2nc3nonc3nc2-c2cccc(OCc3ccco3)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.54
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
BLM P54132 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.34
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 1/20 0.33
KCNA3 P22001 1/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 3/20 0.33
HPGD P15428 3/20 0.33
CASP1 P29466 2/20 0.33

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
SCHEMBL7984832 0.82 PTGES (0.63) PTGESMEN1KMT2ALMNAMAPT
SCHEMBL7996575 0.81 PTGES (0.55) PTGESMEN1KMT2AMAPTMAPK1
SCHEMBL7994971 0.80 PTGES (0.59) PTGESKCNA3
SCHEMBL7996440 0.80 PTGES (0.54) PTGESMEN1KMT2AKDM4EMAPT
SCHEMBL7994940 0.78 PTGES (0.52) PTGESALDH1A1POLB
SCHEMBL7984591 0.77 PTGES (0.61) PTGESMEN1KMT2AKDM4EMAPT
SCHEMBL7996719 0.76 PTGES (0.64) PTGESMEN1KMT2ALMNAKDM4E
SCHEMBL7994861 0.75 PTGES (0.59) PTGESMEN1KMT2AMAPTBLM
SCHEMBL7994951 0.73 PTGES (0.56) PTGESMEN1KMT2ALMNAKDM4E
Trifluoroacetic Acid SCHEMBL7996801 0.71 PTGES (0.52) PTGESMAPTSMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 WO claimed
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 WO disclosed