SCHEMBL30955850

SCHEMBL30955850

O=[N+]([O-])C=C1CNc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ APP P05067 4/20 0.33
▸ SNCA P37840 4/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ FBP1 P09467 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 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
SCHEMBL28628275 0.79 MAPT (0.33) MAPTMEN1KMT2AJAK2APP
SCHEMBL9484204 0.79 MAPT (0.33) MAPTMEN1KMT2AJAK2APP
SCHEMBL30603084 0.75 MAPT (0.53) MAPTALDH1A1CA12CYP1A2CYP2D6
SCHEMBL3692772 0.72 NOS2 (0.41) JAK2NOS2ALDH1A1GAACA12
SCHEMBL15291319 0.72 JAK2 (0.39) MEN1KMT2AJAK2NOS2ALDH1A1
SCHEMBL30785015 0.72 NOS2 (0.41) JAK2NOS2ALDH1A1GAACA12
SCHEMBL3692774 0.72 NOS2 (0.41) JAK2NOS2ALDH1A1GAACA12
SCHEMBL28129799 0.69 MAOB (0.43) MAPTMEN1KMT2AJAK2ALDH1A1
SCHEMBL31372632 0.69 — —
SCHEMBL29556997 0.68 JAK2 (0.36) MAPTJAK2NOS2GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184701-A Phosphono-substituted 3-methyleneoxindole compound and preparation and application thereof 浙江工业大学 2024-06-14 — — CN disclosed
CN-118184568-A Sulfonyl compound containing oxindole skeleton and preparation and application thereof 浙江工业大学 2024-06-14 — — CN disclosed
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