SCHEMBL17320384

SCHEMBL17320384

CCC(O)[C@H](O)[C@@H](OCOP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](O)C(O)[C@@H]1O)n1cnc2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 3/20 0.62
MACROD2 A1Z1Q3 1/20 0.62
SIRT6 Q8N6T7 1/20 0.62
MACROD1 Q9BQ69 1/20 0.62
P2RY1 P47900 6/20 0.56
P2RX1 P51575 3/20 0.56
P2RX3 P56373 3/20 0.56
P2RY2 P41231 2/20 0.56
P2RX2 Q9UBL9 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SRC P12931 1/20 0.56
P2RX4 Q99571 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
ENTPD1 P49961 1/20 0.50

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
SCHEMBL26972786 0.81 TRPM2 (0.63) TRPM2MACROD2SIRT6MACROD1P2RY1
Adenosine Diphosphate Ribose SCHEMBL29353177 0.77 TRPM2 (1.00) TRPM2MACROD2SIRT6MACROD1P2RY1
Adenosine Diphosphate Ribose SCHEMBL22570313 0.77 TRPM2 (1.00) TRPM2MACROD2SIRT6MACROD1P2RY1
Adenosine Diphosphate Ribose SCHEMBL29548995 0.77 TRPM2 (1.00) TRPM2MACROD2SIRT6MACROD1P2RY1
Adenosine Diphosphate Ribose SCHEMBL19997378 0.77 TRPM2 (1.00) TRPM2MACROD2SIRT6MACROD1P2RY1
Adenosine Diphosphate Ribose SCHEMBL18134682 0.77 TRPM2 (1.00) TRPM2MACROD2SIRT6MACROD1P2RY1
Adenosine Diphosphate Ribose SCHEMBL21196515 0.77 TRPM2 (1.00) TRPM2MACROD2SIRT6MACROD1P2RY1
Adenosine Diphosphate Ribose SCHEMBL21067521 0.77 TRPM2 (1.00) TRPM2MACROD2SIRT6MACROD1P2RY1
Adenosine Diphosphate Ribose SCHEMBL18137037 0.77 TRPM2 (1.00) TRPM2MACROD2SIRT6MACROD1P2RY1
Adenosine Diphosphate Ribose SCHEMBL14613247 0.77 TRPM2 (1.00) TRPM2MACROD2SIRT6MACROD1P2RY1

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-9599606-B2 ADP-ribose detection reagents THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-21 US disclosed
US-20150355172-A1 ADP-RIBOSE DETECTION REAGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-10 US disclosed