SCHEMBL29937508

SCHEMBL29937508

Nc1ncnc2c1ncn2[C@@]1(N)C[C@H](O)[C@@H](COP(=O)(O)O)O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.58
DNPH1 O43598 1/20 0.56
PRKAB2 O43741 1/20 0.56
TRPM2 O94759 1/20 0.56
LDHA P00338 1/20 0.56
ADRB2 P07550 1/20 0.56
FBP1 P09467 1/20 0.56
SRC P12931 1/20 0.56
ADORA1 P30542 1/20 0.56
P2RY2 P41231 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA2 P54646 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PDE3A Q14432 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
P2RY11 Q96G91 1/20 0.56

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
SCHEMBL30023659 0.92 P2RX3 (0.57) P2RY1TRPM2SRCP2RY2SMN1; SMN2
SCHEMBL1763183 0.92 P2RX3 (0.57) P2RY1TRPM2SRCP2RY2SMN1; SMN2
SCHEMBL31448379 0.87 P2RY1 (0.58) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL29362292 0.83 SLC28A1 (0.57) ADORA1SMN1; SMN2POLB
SCHEMBL6756465 0.83 SLC28A1 (0.57) ADORA1SMN1; SMN2POLB
SCHEMBL24059941 0.82 P2RY1 (0.59) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL6669313 0.81 P2RY1 (0.51) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL1300019 0.80 TAS1R3 (0.56) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL10824472 0.80 P2RY1 (0.60) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL7743363 0.80 P2RX1 (0.56) P2RY1TRPM2SRCP2RY2SMN1; 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
WO-2022152192-A1 ENZYME INVOLVED IN PHAGE DIAMINOPURINE SYNTHESIS, AND USE THEREOF 天津大学 2022-07-21 WO disclosed