SCHEMBL6848973

SCHEMBL6848973

O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.67
P2RY11 Q96G91 3/20 0.67
NT5E P21589 5/20 0.66
CA5A P35218 1/20 0.65
IMPDH2 P12268 6/20 0.65
TAS1R3 Q7RTX0 3/20 0.63
TAS1R1 Q7RTX1 3/20 0.63
DNPH1 O43598 2/20 0.63
PRKAB2 O43741 1/20 0.63
TRPM2 O94759 1/20 0.63
LDHA P00338 1/20 0.63
ADRB2 P07550 1/20 0.63
FBP1 P09467 1/20 0.63
SRC P12931 1/20 0.63
ADORA1 P30542 1/20 0.63
P2RY2 P41231 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PDE4D Q08499 1/20 0.63
KCNH2 Q12809 1/20 0.63

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
Ammonia Solution, Strong SCHEMBL4362929 0.92 CA5A (0.67) P2RY1P2RY11NT5ECA5AIMPDH2
SCHEMBL188740 0.91 CA5A (0.68) P2RY1P2RY11NT5ECA5AIMPDH2
SCHEMBL8423402 0.89 P2RY1 (0.83) P2RY1P2RY11NT5ECA5ATAS1R3
SCHEMBL10120960 0.89 P2RY1 (0.83) P2RY1P2RY11NT5ECA5ATAS1R3
SCHEMBL8423419 0.89 P2RY1 (0.83) P2RY1P2RY11NT5ECA5ATAS1R3
SCHEMBL27183159 0.89 CA5A (0.66) P2RY1P2RY11NT5ECA5AIMPDH2
E626 SCHEMBL19222125 0.88 CA5A (0.71) P2RY1P2RY11NT5ECA5AIMPDH2
Triphosphate SCHEMBL11811171 0.87 CA5A (0.64) P2RY1P2RY11CA5AIMPDH2TAS1R3
SCHEMBL31527983 0.85 IMPDH2 (0.67) P2RY1P2RY11NT5ECA5AIMPDH2
SCHEMBL31527789 0.85 CA5A (0.62) P2RY1P2RY11NT5ECA5AIMPDH2

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
US-6826488-B1 CRYSTAL OF BACTERIAL INOSINE MONOPHOSPHATE DEHYDROGENASE PRODUCED FROM PURIFIED AND ACTIVE ENZYME OBTAINED FROM PURE CULTURE OF STREPTOCOCCUS PYOGENES THE UNIVERSITY OF CHICAGO 2004-11-30 US disclosed