SCHEMBL28154152

SCHEMBL28154152

NNC(=O)c1n[nH]c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMYD3 Q9H7B4 1/20 0.38
LMNA P02545 3/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ATM Q13315 1/20 0.33
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL351234 0.76
SCHEMBL3224791 0.76
SCHEMBL14703720 0.75 LMNA (0.36) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL28878048 0.73 CTSD (0.38) P2RX7ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL3375301 0.71 ALDH1A1 (0.60) P2RX7ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL28242655 0.71 P2RX7 (0.56) P2RX7ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL1207051 0.71 SMYD3 (0.32) ALDH1A1KDM4ESMYD3
SCHEMBL23365791 0.70 L3MBTL1 (0.40) KDM4EMEN1KMT2AL3MBTL1SMYD3
SCHEMBL2561959 0.70 MEN1 (0.55) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2534433 0.69 PDE4D (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141190-B 1,2, 4-triazolyl-1, 3, 4-oxadiazole energetic compound and preparation method thereof 南京理工大学 2024-01-12 CN claimed
CN-115141190-A 1,2, 4-triazol-1, 3, 4-oxadiazole energetic compound and preparation method thereof 南京理工大学 2022-10-04 CN claimed
CN-115141190-B 1,2, 4-triazolyl-1, 3, 4-oxadiazole energetic compound and preparation method thereof 南京理工大学 2024-01-12 CN disclosed
CN-115141190-A 1,2, 4-triazol-1, 3, 4-oxadiazole energetic compound and preparation method thereof 南京理工大学 2022-10-04 CN disclosed
CN-110679602-B Application of alkaloid esramycin and derivatives thereof in resisting plant viruses 河北工业大学 2021-05-18 CN disclosed
CN-110679602-A Application of alkaloid esramycin and derivatives thereof in resisting plant viruses 河北工业大学 2020-01-14 CN disclosed
CN-106795644-A Copper foil for printed wiring board and copper-clad laminate 古河电气工业株式会社 2017-05-31 CN disclosed