SCHEMBL7474561

SCHEMBL7474561

CC(=O)Oc1cc2c(=O)c3ccc(OC(C)=O)c(OC(C)=O)c3sc2c(OC(C)=O)c1OC(C)=O.O=c1c2ccc(O)c(O)c2sc2c(O)c(O)c(O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
MAPT P10636 5/20 0.36
RECQL P46063 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APEX1 P27695 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
PIM1 P11309 1/20 0.34
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
MPI P34949 1/20 0.33
TMIGD3 P0DMS9 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA3 P0DMS8 3/20 0.32

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
SCHEMBL7360070 0.88 KDM4E (0.44) KDM4EMAPTRECQLTDP1GAA
SCHEMBL7361090 0.80 KDM4E (0.47) KDM4EMAPTRECQLTDP1GAA
SCHEMBL7362351 0.77 ATP1A1 (0.43) KDM4EMAPTRECQLTDP1GAA
SCHEMBL7366837 0.73 KDM4E (0.41) KDM4EMAPTRECQLTDP1GAA
SCHEMBL7366827 0.68 MAPT (0.36) KDM4EMAPTRECQLTDP1GAA
SCHEMBL7228410 0.66 MAPT (0.56) KDM4EMAPTRECQLTDP1GAA
SCHEMBL10394800 0.61 PIM1 (0.51) KDM4EMAPTTDP1GAAALDH1A1
SCHEMBL7362334 0.61 KDM4E (0.47) KDM4EMAPTRECQLTDP1GAA
SCHEMBL7361574 0.61 ATP1A1 (0.39) KDM4EMAPTRECQLTDP1GAA
SCHEMBL6020829 0.60 PIM1 (0.44) KDM4EMAPTGAAALDH1A1KMT2A

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-2001041773-A1 XANTHONE ANALOGS FOR TREATING INFECTIOUS DISEASES AND COMPLEXATION OF HEME AND PORPHYRINS INTERLAB, INC. (US) 2001-06-14 WO disclosed