SCHEMBL7757016

SCHEMBL7757016

CC(C)C(N)C(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.73
TARS1 P26639 2/20 0.67
P2RY1 P47900 4/20 0.65
P2RY2 P41231 3/20 0.65
ADORA1 P30542 2/20 0.65
SRC P12931 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
DNPH1 O43598 1/20 0.65
PRKAB2 O43741 1/20 0.65
TRPM2 O94759 1/20 0.65
LDHA P00338 1/20 0.65
ADRB2 P07550 1/20 0.65
FBP1 P09467 1/20 0.65
PRKAG1 P54619 1/20 0.65
PRKAA2 P54646 1/20 0.65
PDE4D Q08499 1/20 0.65
KCNH2 Q12809 1/20 0.65
PRKAA1 Q13131 1/20 0.65
PDE3A Q14432 1/20 0.65
TAS1R3 Q7RTX0 1/20 0.65

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
SCHEMBL8970134 0.92 NT5E (0.63) MARS1TARS1P2RY1P2RY2ADORA1
SCHEMBL8970144 0.92 NT5E (0.63) MARS1TARS1P2RY1P2RY2ADORA1
SCHEMBL2761284 0.91 MARS1 (0.74) MARS1TARS1P2RY1P2RY2ADORA1
SCHEMBL8846496 0.90 MARS1 (0.73) MARS1TARS1P2RY1P2RY2ADORA1
SCHEMBL27961931 0.89 P2RY1 (0.68) MARS1P2RY1P2RY2ADORA1SRC
SCHEMBL11584743 0.87 P2RY1 (0.71) MARS1P2RY1P2RY2ADORA1SRC
SCHEMBL5550634 0.87 P2RY1 (0.71) MARS1P2RY1P2RY2ADORA1SRC
SCHEMBL219554 0.87 P2RY1 (0.71) MARS1P2RY1P2RY2ADORA1SRC
SCHEMBL31001632 0.87 P2RY1 (0.71) MARS1P2RY1P2RY2ADORA1SRC
SCHEMBL11585557 0.86 MARS1 (0.68) MARS1P2RY1P2RY2ADORA1SRC

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-2001066471-A2 CONTROL OF SPORE FORMING BACTERIA IN AQUEOUS SYSTEMS HERCULES INCORPORATED (US) 2001-09-13 WO claimed