SCHEMBL9851718

SCHEMBL9851718

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 3/20 0.48
TYMP P19971 3/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATG7 O95352 3/20 0.46
NT5E P21589 3/20 0.44
PDE2A O00408 1/20 0.43
GSK3A P49840 1/20 0.42
RPS6KA3 P51812 1/20 0.42
MAPK14 Q16539 1/20 0.42
P2RX3 P56373 1/20 0.41
HINT1 P49773 1/20 0.41

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 0.91 MAPT (0.44) HSPA5TYMPMAPTMEN1KMT2A
SCHEMBL9851796 0.91 MAPT (0.44) HSPA5TYMPMAPTMEN1KMT2A
SCHEMBL9851711 0.83 MAPT (0.45) TYMPMAPTMEN1KMT2ANT5E
SCHEMBL9851826 0.83 MEN1 (0.47) TYMPMAPTMEN1KMT2AATG7
SCHEMBL9851743 0.83 ATG7 (0.52) TYMPATG7NT5EGSK3ARPS6KA3
SCHEMBL18520579 0.82 ATG7 (0.51) TYMPATG7NT5EGSK3ARPS6KA3
SCHEMBL9851724 0.81 MEN1 (0.49) TYMPMAPTMEN1KMT2A
SCHEMBL6912032 0.81 ALDH1A1 (0.55) MAPTMEN1KMT2AATG7
SCHEMBL1144829 0.81 ALDH1A1 (0.55) MAPTMEN1KMT2AATG7
SCHEMBL6912039 0.81 ALDH1A1 (0.55) MAPTMEN1KMT2AATG7

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