SCHEMBL9851796

SCHEMBL9851796

O=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H]1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HSPA5 P11021 2/20 0.42
PDE2A O00408 2/20 0.41
HTR1A P08908 1/20 0.41
TYMP P19971 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATG7 O95352 2/20 0.38
BCHE P06276 1/20 0.38
SSTR4 P31391 1/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
TACR2 P21452 1/20 0.37
GSK3A P49840 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL9851822 0.93 MAPT (0.44) MAPTHSPA5PDE2AHTR1ATYMP
SCHEMBL9851724 0.91 MEN1 (0.49) MAPTTYMPMEN1KMT2A
SCHEMBL9851718 0.91 HSPA5 (0.48) MAPTHSPA5PDE2ATYMPMEN1
SCHEMBL9851826 0.86 MEN1 (0.47) MAPTTYMPMEN1KMT2AATG7
SCHEMBL9851722 0.85 MAPT (0.47) MAPTHTR1ATYMPMEN1KMT2A
SCHEMBL9851711 0.80 MAPT (0.45) MAPTPDE2ATYMPMEN1KMT2A
SCHEMBL9851703 0.80 MAPT (0.44) MAPTPDE2AHTR1ATYMPMEN1
SCHEMBL9851884 0.78 ATG7 (0.43) MAPTTYMPMEN1KMT2AATG7
SCHEMBL9851809 0.76 MAPT (0.46) MAPTMEN1KMT2A
SCHEMBL11672852 0.75 HSPA5 (0.49) HSPA5PDE2AHTR1AMEN1KMT2A

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