SCHEMBL8425663

SCHEMBL8425663

COc1ccc(C2=NC(C)(C)C(c3ccc(OC)c(OC)c3)O2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
PTAFR P25105 1/20 0.41
PDE4A P27815 1/20 0.41
NR3C1 P04150 1/20 0.41
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7283163 0.68 LMNA (0.49) ALDH1A1PDE4AHPGDMAPK1KDM4E
SCHEMBL31030757 0.65 PDE4A (0.45) ALDH1A1PDE4AHPGDMAPK1KDM4E
SCHEMBL8840880 0.65 PDE4A (0.67) ALDH1A1PDE4AHPGDMAPK1GAA
SCHEMBL15816645 0.64 NR3C1 (0.52) ALDH1A1PTAFRNR3C1MAPK1GAA
SCHEMBL31030696 0.64 ALDH1A1 (0.44) ALDH1A1PDE4AHPGDMAPK1KDM4E
SCHEMBL9586738 0.63 PTAFR (0.81) PTAFRNR3C1MAPK1GAARAB9A
SCHEMBL9586957 0.63 PTAFR (0.81) PTAFRNR3C1MAPK1GAARAB9A
SCHEMBL28829958 0.62 NR3C1 (0.53) ALDH1A1PTAFRPDE4ANR3C1GAA
SCHEMBL14590599 0.62 PDE4A (0.41) ALDH1A1PTAFRPDE4ANR3C1MAPK1
SCHEMBL28863320 0.62 PTAFR (0.42) ALDH1A1PTAFRPDE4ANR3C1HPGD

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
US-5942641-A TREATMENT OF ALZHEIMER'S DISEASE, NERVOUS SYSTEM DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-24 US disclosed