SCHEMBL8768536

SCHEMBL8768536

O=C(O)COC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 5/20 0.54
P2RY1 P47900 4/20 0.54
P2RY2 P41231 3/20 0.54
ADORA1 P30542 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
SRC P12931 2/20 0.54
PRKAB2 O43741 1/20 0.54
TRPM2 O94759 1/20 0.54
LDHA P00338 1/20 0.54
ADRB2 P07550 1/20 0.54
FBP1 P09467 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PDE4D Q08499 1/20 0.54
KCNH2 Q12809 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PDE3A Q14432 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
P2RY11 Q96G91 1/20 0.54

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
SCHEMBL6026018 0.88 P2RY1 (0.70) DNPH1P2RY1P2RY2ADORA1SMN1; SMN2
SCHEMBL5498798 0.87 P2RY1 (0.56) DNPH1P2RY1P2RY2ADORA1SMN1; SMN2
SCHEMBL11880535 0.87 DOT1L (0.57) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL28672421 0.84 P2RY1 (0.57) DNPH1P2RY1P2RY2ADORA1SMN1; SMN2
SCHEMBL21839786 0.84 RNASEL (0.66) DNPH1P2RY1P2RY2ADORA1SMN1; SMN2
SCHEMBL9052982 0.84 MARS1 (0.56) DNPH1P2RY1P2RY2ADORA1SMN1; SMN2
SCHEMBL29387664 0.84 MARS1 (0.56) DNPH1P2RY1P2RY2ADORA1SMN1; SMN2
SCHEMBL317726 0.84 P2RY1 (0.57) DNPH1P2RY1P2RY2ADORA1SMN1; SMN2
SCHEMBL10578026 0.83 NT5E (0.55) DNPH1P2RY1P2RY2ADORA1SMN1; SMN2
SCHEMBL1140717 0.83 SLC29A1 (0.64) DNPH1ADORA1ADORA3ADORA2ASTAT6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 EP claimed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 WO claimed