SCHEMBL8628979

SCHEMBL8628979

Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(OC[C@H]2O[C@@H](n3c(Br)nc4c(N)ncnc43)C(O)C2O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENTPD1 P49961 3/20 0.66
SIRT2 Q8IXJ6 1/20 0.62
SIRT1 Q96EB6 1/20 0.62
TRPM2 O94759 1/20 0.62
NADK O95544 1/20 0.60
P2RY1 P47900 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
SCHEMBL15082696 0.95 ENTPD1 (0.73) ENTPD1TRPM2P2RY1
SCHEMBL374913 0.95 ENTPD1 (0.73) ENTPD1TRPM2P2RY1
SCHEMBL374912 0.95 ENTPD1 (0.73) ENTPD1TRPM2P2RY1
SCHEMBL30079811 0.95 ENTPD1 (0.73) ENTPD1TRPM2P2RY1
SCHEMBL4314233 0.94 ENTPD1 (0.72) ENTPD1TRPM2P2RY1
SCHEMBL6764984 0.90 SIRT2 (0.72) ENTPD1SIRT2SIRT1TRPM2NADK
SCHEMBL4315602 0.90 SIRT2 (0.72) ENTPD1SIRT2SIRT1TRPM2NADK
SCHEMBL30583439 0.90 SIRT2 (0.72) ENTPD1SIRT2SIRT1TRPM2NADK
SCHEMBL8628968 0.89 NADK (0.64) ENTPD1NADK
SCHEMBL28823541 0.89 SIRT2 (0.71) ENTPD1SIRT2SIRT1TRPM2NADK

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