SCHEMBL21545800

SCHEMBL21545800

CN(C)C=Nc1nc(Cl)c2ncn([C@H]3C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NT5E P21589 1/20 0.41
▸ HIF1A Q16665 1/20 0.37
▸ TYMP P19971 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL26233431 0.86 PNP (0.47) PNPLMNATP53HTTPDE4D
SCHEMBL10022904 0.83 NT5E (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL887526 0.83 NT5E (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL21545820 0.83 NT5E (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL431332 0.82 HIF1A (0.46) HIF1ATYMPPOLB
SCHEMBL20129802 0.82 HIF1A (0.46) HIF1ATYMPPOLB
SCHEMBL30821669 0.82 HIF1A (0.46) HIF1ATYMPPOLB
SCHEMBL887467 0.82 HIF1A (0.46) HIF1ATYMPPOLB
SCHEMBL10022902 0.82 HIF1A (0.46) HIF1ATYMPPOLB
SCHEMBL19662721 0.82 POLB (0.47) PNPLMNATP53HTTPDE4D

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-20190344239-A1 HOMOPOLYMER ENCODED NUCLEIC ACID MEMORY Molecular Assemblies, Inc. 2019-11-14 — — US disclosed
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