SCHEMBL9851826

SCHEMBL9851826

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.45
ADORA2A P29274 4/20 0.40
ADORA2B P29275 1/20 0.40
CYP1A2 P05177 1/20 0.39
SLC28A2 O43868 1/20 0.39
TYMP P19971 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ATG7 O95352 1/20 0.37
SLC29A1 Q99808 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA1 P30542 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
SCHEMBL9851724 0.93 MEN1 (0.49) MEN1KMT2AMAPTADORA2AADORA2B
SCHEMBL9851722 0.93 MAPT (0.47) MEN1KMT2AMAPTADORA2AADORA2B
SCHEMBL9851822 0.91 MAPT (0.44) MEN1KMT2AMAPTTYMPATG7
SCHEMBL9851796 0.86 MAPT (0.44) MEN1KMT2AMAPTTYMPATG7
SCHEMBL9851819 0.84 ALDH1A1 (0.42) MEN1KMT2AMAPTTYMPSMN1; SMN2
SCHEMBL9851718 0.83 HSPA5 (0.48) MEN1KMT2AMAPTTYMPATG7
SCHEMBL6912032 0.81 ALDH1A1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ATG7
SCHEMBL6912039 0.81 ALDH1A1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ATG7
SCHEMBL1144829 0.81 ALDH1A1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ATG7
SCHEMBL9851809 0.81 MAPT (0.46) MEN1KMT2AMAPTADORA2ALMNA

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