SCHEMBL28437540

SCHEMBL28437540

[N-]=[N+]=Nn1c(=N)ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADRB1 P08588 1/20 0.42
DNMT1 P26358 1/20 0.42
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40
TK2 O00142 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL28552184 0.80 UMPS (0.34)
SCHEMBL27746063 0.80 SLC28A1 (0.49) LMNASMN1; SMN2DNMT1CYP3A4TSHR
SCHEMBL29716313 0.79 TK1 (0.46) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL20369020 0.79 TK1 (0.46) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL26181033 0.79 TK1 (0.46) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL1128956 0.78 TK1 (0.48) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL1128958 0.78 TK1 (0.48) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL29716295 0.77 TK1 (0.47) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL26181032 0.77 TK1 (0.47) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL25295079 0.73 TK1 (0.45) TK1LMNASMN1; SMN2ADRB1DNMT1

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-111344296-A Nucleotide derivatives containing amine-masked moieties and their use in templated and non-templated enzymatic nucleic acid synthesis 核酸有限公司 2020-06-26 CN disclosed