SCHEMBL5489990

SCHEMBL5489990

CCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3=NO.COc1ccc2[nH]c3c(c2c1)CCCCC3=NO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.64
MAPT P10636 7/20 0.64
HSD17B10 Q99714 5/20 0.64
ALOX15 P16050 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 4/20 0.59
RAB9A P51151 3/20 0.59
MEN1 O00255 3/20 0.59
NPC1 O15118 2/20 0.59
TDP1 Q9NUW8 2/20 0.57
MAPK1 P28482 3/20 0.55
PLK4 O00444 1/20 0.55
DAPK3 O43293 1/20 0.55
DYRK3 O43781 1/20 0.55
JAK2 O60674 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
PIM1 P11309 1/20 0.55
RPS6KB1 P23443 1/20 0.55

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
SCHEMBL4255908 0.92 KDM4E (0.71) KDM4EMAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL1658107 0.92 KDM4E (0.71) KDM4EMAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL1658092 0.85 KDM4E (0.73) KDM4EMAPTHSD17B10ALOX15L3MBTL1
SCHEMBL1658091 0.85 KDM4E (0.73) KDM4EMAPTHSD17B10ALOX15L3MBTL1
SCHEMBL4171862 0.85 KDM4E (0.77) KDM4EMAPTHSD17B10ALOX15L3MBTL1
SCHEMBL4171864 0.85 KDM4E (0.77) KDM4EMAPTHSD17B10ALOX15L3MBTL1
SCHEMBL4260313 0.85 KDM4E (0.77) KDM4EMAPTHSD17B10ALOX15L3MBTL1
SCHEMBL5239415 0.78 KDM4E (1.00) KDM4EMAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL6244260 0.78 KDM4E (0.67) KDM4EMAPTHSD17B10ALOX15L3MBTL1
SCHEMBL6347706 0.78 KDM4E (0.67) KDM4EMAPTHSD17B10ALOX15L3MBTL1

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
EP-1824498-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-08-29 EP disclosed
WO-2006053315-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-05-18 WO disclosed