SCHEMBL28099596

SCHEMBL28099596

[N-]=[N+]=NCC(=O)NCCCCN

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PAOX Q6QHF9 2/20 0.44
SLC6A5 Q9Y345 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4A O75164 1/20 0.36
HIF1A Q16665 1/20 0.36
TET2 Q6N021 1/20 0.36
DOHH Q9BU89 1/20 0.36
DDAH1 O94760 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34

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
SCHEMBL15057676 0.98 PAOX (0.47) CA2CA9PAOXSLC6A5MEN1
SCHEMBL20829940 0.95 CA2 (0.48) CA2CA9PAOXSLC6A5MEN1
SCHEMBL13887521 0.89 CA2 (0.48) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL28901062 0.87 CA2 (0.50) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL16014560 0.83 CA2 (0.47) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL23353390 0.82 CASP2 (0.52) CA2CA9MEN1KMT2A
SCHEMBL15058162 0.82 CA2 (0.43) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL16345817 0.82 CA2 (0.43) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL28480824 0.81 CA2 (0.46) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL13655625 0.81 CASP2 (0.55) CA2CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985944-A Novel method of intracellular site-specific covalent RNA labeling 中国科学院生物物理研究所 2016-10-05 CN claimed
CN-105985944-B A kind of new method of intracellular site specific covalent labeled RNA 中国科学院生物物理研究所 2019-05-28 CN disclosed
CN-105985944-A Novel method of intracellular site-specific covalent RNA labeling 中国科学院生物物理研究所 2016-10-05 CN disclosed