SCHEMBL8028076

SCHEMBL8028076

C#CCN1CN=c2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)=C1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.48
P2RX2 Q9UBL9 3/20 0.48
RNASEL Q05823 3/20 0.47
P2RY1 P47900 5/20 0.46
ENPP1 P22413 2/20 0.46
P2RY12 Q9H244 1/20 0.46
GPR17 Q13304 1/20 0.46
P2RY6 Q15077 4/20 0.46
P2RX4 Q99571 3/20 0.46
P2RX1 P51575 2/20 0.46
P2RY11 Q96G91 1/20 0.46
P2RY2 P41231 5/20 0.45
SRC P12931 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RY4 P51582 2/20 0.45

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
SCHEMBL8018540 0.93 ATIC (0.48) RNASELP2RY1P2RY11P2RY2SRC
SCHEMBL8029815 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL3512412 0.78 NT5E (0.53) P2RX3P2RX2RNASELP2RY1ENPP1
SCHEMBL625829 0.78 P2RY1 (0.57) P2RX3P2RX2RNASELP2RY1ENPP1
SCHEMBL264616 0.78 ATIC (0.52) RNASELP2RY1P2RY6P2RY11P2RY2
SCHEMBL5721746 0.76 P2RX3 (0.52) P2RX3P2RX2RNASELP2RY1ENPP1
SCHEMBL4377679 0.75 RNASEL (0.51) P2RX3P2RX2RNASELP2RY1ENPP1
SCHEMBL8028285 0.74 MEN1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL6704190 0.72 ATIC (0.57) P2RX3P2RX2RNASELP2RY1P2RX4
SCHEMBL8840654 0.72 ATIC (0.52) RNASELP2RY1P2RY6P2RY11P2RY2

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
US-6130324-A HAVING MODIFIED PURINE NUCLEOTIDES; VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS AND HUMAN CYTOMEGALOVIRUS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2000-10-10 US claimed
US-6130324-A HAVING MODIFIED PURINE NUCLEOTIDES; VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS AND HUMAN CYTOMEGALOVIRUS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2000-10-10 US disclosed