SCHEMBL27482117

SCHEMBL27482117

OC[C@H]1OC(c2c[nH]nn2)C[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
OGA O60502 4/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TK1 P04183 2/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
ADRB1 P08588 1/20 0.33
DNMT1 P26358 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PDE4D Q08499 1/20 0.32

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
SCHEMBL27844217 0.91 PTPN1 (0.33) ADAADORA3ADORA2AADORA1
SCHEMBL11667457 0.72 SLC5A2 (0.42) LMNASMN1; SMN2HIF1A
SCHEMBL11236865 0.72 SLC5A2 (0.42) LMNASMN1; SMN2HIF1A
SCHEMBL11236869 0.72 SLC5A2 (0.42) LMNASMN1; SMN2HIF1A
SCHEMBL27373827 0.71 SLC5A2 (0.44)
SCHEMBL27373828 0.71 SLC5A2 (0.44)
SCHEMBL27392749 0.71 SLC5A2 (0.44)
SCHEMBL16631950 0.70 TK1 (0.39) GALR3NR2F2LMNASMN1; SMN2TK1
SCHEMBL8663124 0.69 ADRB1 (0.38) GALR3NR2F2OGALMNASMN1; SMN2
SCHEMBL9751247 0.69 ADRB1 (0.38) GALR3NR2F2OGALMNASMN1; SMN2

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
CN-1170727-A Heterocyclic ribose polysubstituted triazole compound and its synthesis method CHINESE ACAD INST CHEMISTRY (CN) 1998-01-21 CN disclosed