SCHEMBL9521041

SCHEMBL9521041

CC(=O)Oc1c2c(cc3ccccc13)C(=O)C1=C(COC(OC=O)C1)C2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
MAPT P10636 3/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 2/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 2/20 0.30

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
SCHEMBL9520715 1.00 KDM4E (0.33) KDM4ENPC1PKMRAB9AHPGD
SCHEMBL9521750 0.88 KDM4E (0.34) KDM4ENPC1RAB9AHPGDMAPT
SCHEMBL9520799 0.84 NQO1 (0.39)
SCHEMBL9521049 0.84 NQO1 (0.39)
SCHEMBL9755764 0.83 ADORA3 (0.35) KDM4ENPC1PKMRAB9AHPGD
SCHEMBL9755774 0.83 HTT (0.34) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL9755781 0.83 HTT (0.34) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL9755801 0.83 KDM4E (0.34) KDM4ENPC1PKMRAB9AHPGD
SCHEMBL9522381 0.83 KDM4E (0.34) KDM4ENPC1PKMRAB9AHPGD
SCHEMBL8902587 0.82 KDM4E (0.34) KDM4ENPC1PKMRAB9AHPGD

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-0533744-A1 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1993-03-31 EP claimed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO claimed