SCHEMBL9851776

SCHEMBL9851776

COO[C@@H]1C[C@@H](CO)O[C@@]1(Cc1ccccc1)n1cnc2c(O)ncnc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.33
SLC29A1 Q99808 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GMPS P49915 1/20 0.31
ADORA2A P29274 1/20 0.31
NR2F2 P24468 1/20 0.30

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
SCHEMBL9851745 0.91 KDM4E (0.32) KDM4EMEN1MITFLMNAMAPT
SCHEMBL9851771 0.80 ADORA2A (0.31) ADORA3GMPSADORA2A
SCHEMBL1140712 0.75 ADORA3 (0.43) SLC29A1ADORA3ADORA2A
SCHEMBL30612745 0.70 GMPS (0.37) ADORA3GMPSADORA2A
SCHEMBL9851782 0.69 PI4KA (0.31) ADORA3ADORA2A
SCHEMBL646508 0.68 ADORA3 (0.42) ADORA3GMPSADORA2A
SCHEMBL30612765 0.67 ADORA3 (0.39) ADORA3GMPSADORA2A
SCHEMBL9851896 0.67 HSPA5 (0.32)
SCHEMBL8623729 0.67 ADORA3 (0.45) SLC29A1ADORA3MEN1MAPK1KMT2A
SCHEMBL9851702 0.67

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