SCHEMBL28994142

SCHEMBL28994142

C=C=N.NC(=S)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 6/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.49
KCNMA1 Q12791 1/20 0.47
PHGDH O43175 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL29838526 0.91 MEN1 (0.62) MAPTNPC1RAB9AL3MBTL1MEN1
SCHEMBL1883671 0.91 MEN1 (0.62) MAPTNPC1RAB9AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL8764180 0.89 MEN1 (0.60) MAPTNPC1RAB9AL3MBTL1MEN1
Aziridine SCHEMBL29221601 0.84 MAPT (0.55) MAPTNPC1RAB9AL3MBTL1MEN1
SCHEMBL11166479 0.79 MAPT (0.49) MAPTNPC1RAB9AL3MBTL1MEN1
SCHEMBL8458957 0.78 MEN1 (0.62) MAPTNPC1RAB9AL3MBTL1MEN1
SCHEMBL4905868 0.78 KMT2A (0.62) MAPTNPC1RAB9AL3MBTL1MEN1
SCHEMBL30388225 0.77 KMT2A (0.71) MAPTNPC1RAB9AL3MBTL1MEN1
SCHEMBL1745798 0.77 KMT2A (0.71) MAPTNPC1RAB9AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL15527205 0.76 KMT2A (0.60) MAPTNPC1RAB9AL3MBTL1MEN1

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-115894909-B Polyethylenimine nitrophenyl thiourea probe, preparation method and application thereof in recognition of anions 新疆大学 2024-06-04 CN claimed
CN-115894909-A Polyethyleneimine nitrophenyl thiourea probe, preparation method and application thereof in anion recognition 新疆大学 2023-04-04 CN claimed
CN-115894909-B Polyethylenimine nitrophenyl thiourea probe, preparation method and application thereof in recognition of anions 新疆大学 2024-06-04 CN disclosed
CN-115894909-B Polyethylenimine nitrophenyl thiourea probe, preparation method and application thereof in recognition of anions 新疆大学 2024-06-04 CN disclosed
CN-115894909-A Polyethyleneimine nitrophenyl thiourea probe, preparation method and application thereof in anion recognition 新疆大学 2023-04-04 CN disclosed
CN-115894909-A Polyethyleneimine nitrophenyl thiourea probe, preparation method and application thereof in anion recognition 新疆大学 2023-04-04 CN disclosed