SCHEMBL7080308

SCHEMBL7080308

O=P(O)(O)OOC(OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 4/20 0.46
P2RY2 P41231 4/20 0.46
P2RY1 P47900 4/20 0.46
SRC P12931 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PRKAB2 O43741 1/20 0.46
TRPM2 O94759 1/20 0.46
LDHA P00338 1/20 0.46
ADRB2 P07550 1/20 0.46
FBP1 P09467 1/20 0.46
ADORA1 P30542 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PDE4D Q08499 1/20 0.46
KCNH2 Q12809 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PDE3A Q14432 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
P2RY11 Q96G91 1/20 0.46

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
SCHEMBL749502 0.89 P2RY2 (0.60) DNPH1P2RY2P2RY1SRCSMN1; SMN2
SCHEMBL4079343 0.86 DNPH1 (0.49) DNPH1P2RY2P2RY1SRCSMN1; SMN2
SCHEMBL11526724 0.86 DNPH1 (0.49) DNPH1P2RY2P2RY1SRCSMN1; SMN2
SCHEMBL4308125 0.85 DNPH1 (0.48) DNPH1P2RY2P2RY1SRCSMN1; SMN2
SCHEMBL5783590 0.83 DNPH1 (0.49) DNPH1P2RY2P2RY1SRCSMN1; SMN2
SCHEMBL3218639 0.82 DNPH1 (0.46) DNPH1P2RY2P2RY1SRCSMN1; SMN2
SCHEMBL10903418 0.82 P2RY2 (0.48) DNPH1P2RY2P2RY1SRCSMN1; SMN2
SCHEMBL27938577 0.80 PRMT5 (0.49) DNPH1P2RY2P2RY1SRCSMN1; SMN2
SCHEMBL27938581 0.80 PRMT5 (0.49) DNPH1P2RY2P2RY1SRCSMN1; SMN2
SCHEMBL8441738 0.80 P2RY2 (0.52) P2RY2P2RY1SRCSMN1; SMN2P2RX1

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
EP-1002100-B1 METHOD FOR PRODUCING AND IDENTIFYING NEW HYDROLASES HAVING IMPROVED PROPERTIES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-07-02 EP disclosed