SCHEMBL9616612

SCHEMBL9616612

CCN(CC)c1ncnc(NN)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
TDP1 Q9NUW8 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CFTR P13569 3/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8383420 0.81 TDP1 (0.38) MEN1KMT2ACA1CA2CA9
SCHEMBL23909400 0.81 KDM4E (0.44) MEN1KMT2ACA1CA2CA9
SCHEMBL893013 0.80 TDP1 (0.46) MEN1KMT2ACA1CA2CA9
Meladrazine SCHEMBL25913 0.78 TSHR (0.47) MEN1KMT2ACA1CA2CA9
SCHEMBL8433668 0.76 CA1 (0.37) MEN1KMT2ACA1CA2CA9
SCHEMBL21496125 0.76 CA1 (0.50) MEN1KMT2ACA1CA2CA9
SCHEMBL9490215 0.75 CA1 (0.34) MEN1KMT2ACA1CA2CA9
SCHEMBL5606801 0.75 MAPT (0.47) KMT2ATDP1RAB9AALDH1A1MAPT
SCHEMBL29582228 0.75 MAPT (0.47) KMT2ATDP1RAB9AALDH1A1MAPT
SCHEMBL1612603 0.72 GAA (0.44) MEN1KMT2ACA1CA2CA9

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
CN-117538458-B Liquid chromatography tandem mass spectrometry method for simultaneously and quantitatively analyzing 14 monosaccharides/disaccharides 中国医学科学院北京协和医院 2024-03-29 CN disclosed
CN-117538458-A Liquid chromatography tandem mass spectrometry method for simultaneously and quantitatively analyzing 14 monosaccharides/disaccharides 中国医学科学院北京协和医院 2024-02-09 CN disclosed
CN-108610414-B IgG epitope and application thereof as target spot 北京大学 2022-09-13 CN disclosed
EP-0413751-A4 NEUROLOGICALLY ACTIVE COMPOUNDS 1992-07-22 EP disclosed
EP-0413751-A1 NEUROLOGICALLY ACTIVE COMPOUNDS NAFTCHI, N., Eric (US) 1991-02-27 EP disclosed
WO-1989010744-A1 NEUROLOGICALLY ACTIVE COMPOUNDS NAFTCHI N ERIC (US) 1989-11-16 WO disclosed