Adenine

Adenine

SCHEMBL2564207

NC(=O)c1cccnc1.NC(=O)c1cccnc1.Nc1ncnc2[nH]cnc12

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.56
F3 P13726 1/20 0.56
SARM1 Q6SZW1 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.56
SIRT6 Q8N6T7 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
SIRT5 Q9NXA8 1/20 0.56
SIRT4 Q9Y6E7 1/20 0.56
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
KDR P35968 1/20 0.47
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HDAC1 Q13547 2/20 0.40
CHEK2 O96017 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PARP1 P09874 1/20 0.40

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
Adenine SCHEMBL15699 1.00 F7 (0.56) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL22748483 1.00 F7 (0.56) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL11807677 0.99 F7 (0.55) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL22129922 0.99 F7 (0.55) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL7712105 0.99 F7 (0.55) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL23859925 0.99 F7 (0.55) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL23531099 0.99 F7 (0.55) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL28614873 0.99 F7 (0.55) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL9274696 0.97 F7 (0.54) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL8414752 0.96 F7 (0.52) F7F3SARM1SIRT2SIRT6

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
WO-2011130385-A1 BIOMARKERS FOR HEPATOCELLULAR CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC 2011-10-20 WO disclosed