SCHEMBL28633711

SCHEMBL28633711

CCCC[C@@]1(n2ccc(N)nc2=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 11/20 0.44
P2RY6 Q15077 8/20 0.44
POLG P54098 1/20 0.43
P2RY4 P51582 5/20 0.42
POLB P06746 1/20 0.42

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
Guanidine SCHEMBL28645150 0.97 P2RY2 (0.42) P2RY2P2RY6POLGP2RY4POLB
SCHEMBL10903450 0.90 POLG (0.45) P2RY2P2RY6POLGP2RY4POLB
SCHEMBL30140872 0.89 POLG (0.49) P2RY2P2RY6POLGP2RY4POLB
SCHEMBL28518605 0.83 POLG (0.47) P2RY2P2RY6POLGP2RY4POLB
SCHEMBL3635669 0.83 POLG (0.46) P2RY2P2RY6POLGP2RY4POLB
SCHEMBL28645147 0.82 LMNA (0.46) POLB
SCHEMBL18394211 0.82 P2RY2 (0.51) P2RY2P2RY6POLGP2RY4POLB
SCHEMBL26102705 0.81 POLG (0.51) P2RY2P2RY6POLGP2RY4POLB
SCHEMBL31309815 0.81 P2RY2 (0.42) P2RY2P2RY6POLGP2RY4
SCHEMBL8436032 0.81 P2RY2 (0.54) P2RY2P2RY6P2RY4

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
CN-113423877-A Mutant tRNAs for codon expansion 中外制药株式会社 2021-09-21 CN disclosed