SCHEMBL10686147

SCHEMBL10686147

NCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 3/20 0.68
▸ SIRT2 Q8IXJ6 1/20 0.66
▸ SIRT1 Q96EB6 1/20 0.66
▸ ENTPD1 P49961 1/20 0.62
▸ DNPH1 O43598 1/20 0.61
▸ PRKAB2 O43741 1/20 0.61
▸ TRPM2 O94759 1/20 0.61
▸ LDHA P00338 1/20 0.61
▸ ADRB2 P07550 1/20 0.61
▸ SRC P12931 1/20 0.61
▸ ADORA1 P30542 1/20 0.61
▸ P2RY2 P41231 1/20 0.61
▸ P2RY1 P47900 1/20 0.61
▸ PRKAG1 P54619 1/20 0.61
▸ PRKAA2 P54646 1/20 0.61
▸ PDE4D Q08499 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ PRKAA1 Q13131 1/20 0.61
▸ PDE3A Q14432 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL8388000 0.93 FBP1 (0.64) FBP1SIRT2SIRT1ENTPD1DNPH1
SCHEMBL20266254 0.92 FBP1 (0.63) FBP1SIRT2SIRT1ENTPD1DNPH1
Adenosine Phosphate SCHEMBL31666008 0.88 P2RY1 (0.69) FBP1DNPH1PRKAB2TRPM2LDHA
SCHEMBL4206199 0.87 ENTPD1 (0.67) FBP1ENTPD1TRPM2
SCHEMBL10528520 0.87 SIRT2 (0.75) FBP1SIRT2SIRT1ENTPD1DNPH1
SCHEMBL4209829 0.86 ENTPD1 (0.66) FBP1ENTPD1TRPM2
SCHEMBL2317501 0.85 FBP1 (0.54) FBP1
SCHEMBL2318704 0.85 FBP1 (0.56) FBP1SIRT2SIRT1ENTPD1
Adenosine Phosphate SCHEMBL20529828 0.85 P2RY1 (0.65) FBP1DNPH1PRKAB2TRPM2LDHA
SCHEMBL31685855 0.85 SIRT2 (0.75) FBP1SIRT2SIRT1ENTPD1DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4791055-A ENZYME-CLEAVABLE BONDS MILES INC. (US) 1988-12-13 — — US disclosed
US-4629688-A CLINICAL ANALYSIS MILES LABORATORIES, INC. (US) 1986-12-16 — — US disclosed
US-4383031-A LIGANDS; IMMUNOASSAY; SIMPLIFICATION; DIAGNOSIS/MEDICAL/ MILES LABORATORIES, INC. (US) 1983-05-10 — — US disclosed
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