SCHEMBL8861594

SCHEMBL8861594

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](NCc2ccccc2)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 4/20 0.70
▸ P2RY1 P47900 4/20 0.70
▸ P2RY2 P41231 3/20 0.70
▸ SRC P12931 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ PRKAB2 O43741 1/20 0.70
▸ TRPM2 O94759 1/20 0.70
▸ LDHA P00338 1/20 0.70
▸ ADRB2 P07550 1/20 0.70
▸ FBP1 P09467 1/20 0.70
▸ ADORA1 P30542 1/20 0.70
▸ PRKAG1 P54619 1/20 0.70
▸ PRKAA2 P54646 1/20 0.70
▸ PDE4D Q08499 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ PRKAA1 Q13131 1/20 0.70
▸ PDE3A Q14432 1/20 0.70
▸ TAS1R3 Q7RTX0 1/20 0.70
▸ TAS1R1 Q7RTX1 1/20 0.70
▸ P2RY11 Q96G91 1/20 0.70

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
SCHEMBL8861547 0.93 P2RX3 (0.69) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL19145745 0.86 ADORA3 (0.66) SMN1; SMN2ADORA1
SCHEMBL19941881 0.85 AHCY (0.61) SMN1; SMN2ADORA1
Adenosine Phosphate SCHEMBL2683103 0.83 P2RY1 (1.00) DNPH1P2RY1P2RY2SRCSMN1; SMN2
Adenosine Phosphate SCHEMBL13374692 0.83 P2RY1 (1.00) DNPH1P2RY1P2RY2SRCSMN1; SMN2
Vidarabine Phosphate SCHEMBL144996 0.83 P2RY1 (1.00) DNPH1P2RY1P2RY2SRCSMN1; SMN2
Adenosine Phosphate SCHEMBL1338615 0.83 P2RY1 (1.00) DNPH1P2RY1P2RY2SRCSMN1; SMN2
Adenosine Phosphate SCHEMBL15646670 0.83 P2RY1 (1.00) DNPH1P2RY1P2RY2SRCSMN1; SMN2
Adenosine Phosphate SCHEMBL5588 0.83 P2RY1 (1.00) DNPH1P2RY1P2RY2SRCSMN1; SMN2
Adenosine Phosphate SCHEMBL18785114 0.83 P2RY1 (1.00) DNPH1P2RY1P2RY2SRCSMN1; 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
US-5620676-A ADENOSINE TRIPHOSPHATE DERIVATIVES; TREATMENT OF SEPTIC SHOCK OR BRAIN SEIZURES, LEARNING ENHANCEMENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-04-15 — — US disclosed
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