SCHEMBL2936680

SCHEMBL2936680

O=C(O)Nc1cncn1C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 3/20 0.54
FBP1 P09467 2/20 0.54
DNPH1 O43598 5/20 0.50
TAS1R3 Q7RTX0 3/20 0.50
TAS1R1 Q7RTX1 3/20 0.50
P2RY2 P41231 3/20 0.50
PRKAB2 O43741 1/20 0.50
TRPM2 O94759 1/20 0.50
LDHA P00338 1/20 0.50
ADRB2 P07550 1/20 0.50
SRC P12931 1/20 0.50
ADORA1 P30542 1/20 0.50
P2RY1 P47900 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PDE4D Q08499 1/20 0.50
KCNH2 Q12809 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PDE3A Q14432 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL29136140 0.81 ATIC (0.62) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL188235 0.81 ATIC (0.62) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL19876125 0.81 ATIC (0.62) ATICFBP1DNPH1TAS1R3TAS1R1
Cyclohexane SCHEMBL9842969 0.78 ATIC (0.59) ATICFBP1DNPH1TAS1R3TAS1R1
Ethylbenzene SCHEMBL1553799 0.76 FBP1 (0.52) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL19814009 0.76 NT5E (0.34) P2RY6
SCHEMBL9240378 0.74 FBP1 (0.55) ATICFBP1DNPH1TAS1R3TAS1R1
Perflexane SCHEMBL7515566 0.74 ATIC (0.54) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL30772453 0.74 ATIC (0.47) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL8346987 0.73 FBP1 (0.53) ATICFBP1DNPH1TAS1R3TAS1R1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018559-A1 GENETICALLY ENGINEERED BACTERIUM CAPABLE OF PRODUCING CYTOKININS WITH ISOPRENOID SIDE CHAINS ACIES BIO D.O.O. (SI) 2024-01-18 US disclosed
CN-116745410-A Genetically engineered bacteria capable of producing cytokinins with isoprenoid side chains 阿西耶斯生物公司 2023-09-12 CN disclosed
WO-2022231371-A1 NOVEL 5-(CARBOXYAMINO)IMIDAZOLE RIBONUCLEOTIDE SYNTHETASE MUTANT AND IMP PRODUCTION METHOD USING SAME 씨제이제일제당 (주) 2022-11-03 WO disclosed
WO-2022231037-A1 NOVEL VARIANT, AND METHOD FOR PRODUCING IMP USING SAME 씨제이제일제당 (주) 2022-11-03 WO disclosed
EP-4006139-A1 GENETICALLY ENGINEERED BACTERIUM CAPABLE OF PRODUCING CYTOKININS WITH ISOPRENOID SIDE CHAINS Acies Bio d.o.o. (SI) 2022-06-01 EP disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed