SCHEMBL9851822

SCHEMBL9851822

O=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HTR1A P08908 1/20 0.43
PDE2A O00408 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR2 P21452 2/20 0.40
HSPA5 P11021 1/20 0.40
BCHE P06276 2/20 0.40
TYMP P19971 2/20 0.39
TP53 P04637 2/20 0.38
MDM2 Q00987 2/20 0.38
ATG7 O95352 2/20 0.38
MDM4 O15151 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GJB2 P29033 1/20 0.37
ACHE P22303 1/20 0.37
NT5E P21589 1/20 0.36

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
SCHEMBL9851796 0.93 MAPT (0.44) MAPTHTR1APDE2AMEN1KMT2A
SCHEMBL9851826 0.91 MEN1 (0.47) MAPTMEN1KMT2ATYMPATG7
SCHEMBL9851718 0.91 HSPA5 (0.48) MAPTPDE2AMEN1KMT2AHSPA5
SCHEMBL9851724 0.86 MEN1 (0.49) MAPTMEN1KMT2ATYMP
SCHEMBL9851722 0.84 MAPT (0.47) MAPTHTR1AMEN1KMT2ATACR2
SCHEMBL9851711 0.80 MAPT (0.45) MAPTPDE2AMEN1KMT2ATYMP
SCHEMBL9851703 0.80 MAPT (0.44) MAPTHTR1APDE2AMEN1KMT2A
SCHEMBL9851728 0.78 ATG7 (0.43) MAPTMEN1KMT2ATYMPATG7
SCHEMBL9851809 0.76 MAPT (0.46) MAPTMEN1KMT2A
SCHEMBL11674553 0.75 HTR1A (0.48) HTR1APDE2AHSPA5BCHETP53

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
EP-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed