SCHEMBL7996440

SCHEMBL7996440

O=C1c2nc3nonc3nc2-c2cccc(OCc3cccs3)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.54
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7996575 0.83 PTGES (0.55) PTGESMEN1KMT2ANPC1RAB9A
SCHEMBL7984832 0.82 PTGES (0.63) PTGESHTTMEN1KMT2AMAPT
SCHEMBL7994971 0.80 PTGES (0.59) PTGESPIK3CD
SCHEMBL7984763 0.80 PTGES (0.54) PTGESHTTALDH1A1TSHRGAA
SCHEMBL7994940 0.78 PTGES (0.52) PTGESALDH1A1POLBPIK3CDCYP1A2
SCHEMBL7984591 0.77 PTGES (0.61) PTGESALDH1A1GAAPOLBMEN1
SCHEMBL7996719 0.76 PTGES (0.64) PTGESHTTALDH1A1MEN1KMT2A
SCHEMBL7994861 0.75 PTGES (0.59) PTGESHTTALDH1A1POLBMEN1
SCHEMBL7994951 0.73 PTGES (0.56) PTGESALDH1A1TSHRGAAPOLB
SCHEMBL7983849 0.72 PTGES (0.57) PTGESHTTALDH1A1TSHRPOLB

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