SCHEMBL8628968

SCHEMBL8628968

Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NADK O95544 1/20 0.64
HSPA5 P11021 2/20 0.63
HSPA8 P11142 2/20 0.63
ENTPD1 P49961 2/20 0.61
FBP1 P09467 1/20 0.61
RXFP1 Q9HBX9 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
HBB P68871 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
Phosphoric Acid SCHEMBL5007800 0.92 NADK (0.72) NADKHSPA5HSPA8FBP1RXFP1
Phosphoric Acid SCHEMBL6764980 0.92 NADK (0.72) NADKHSPA5HSPA8FBP1RXFP1
Phosphoric Acid SCHEMBL8628967 0.92 NADK (0.72) NADKHSPA5HSPA8FBP1RXFP1
SCHEMBL30079811 0.91 ENTPD1 (0.73) ENTPD1
SCHEMBL15082696 0.91 ENTPD1 (0.73) ENTPD1
SCHEMBL374913 0.91 ENTPD1 (0.73) ENTPD1
SCHEMBL374912 0.91 ENTPD1 (0.73) ENTPD1
SCHEMBL4314233 0.90 ENTPD1 (0.72) ENTPD1
SCHEMBL8628979 0.89 ENTPD1 (0.66) NADKENTPD1
SCHEMBL13587343 0.89 NADK (0.79) NADKHSPA5HSPA8FBP1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566140-B1 Method for producing dinucleoside polyphosphate, nucleoside polyphosphate or derivatives thereof UNITIKA LTD (JP) 1998-07-01 EP disclosed
US-5306629-A Two-stage reaction using two enzymes: adenosine-5-triphosphate sulfurylase and diadenosine tetraphosphate phosphorylase as catalysts, and adenosine-5-triphosphate, polyphosphate and a sulfate as substrates UNITIKA LTD. (JP) 1994-04-26 US disclosed
EP-0566140-A2 Method for producing dinucleoside polyphosphate, nucleoside polyphosphate or derivatives thereof UNITIKA LTD. (JP) 1993-10-20 EP disclosed
EP-0247819-B1 PROCESS FOR PRODUCING DIADENOSINE TETRAPHOSPHATE AND DERIVATIVES THEREOF UNITIKA LTD. (JP) 1991-07-24 EP disclosed
US-4886749-A Process for producing diadenosine tetraphosphate and derivatives thereof UNITIKA LTD. (JP) 1989-12-12 US disclosed