SCHEMBL9484204

SCHEMBL9484204

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ APP P05067 2/20 0.31
▸ SNCA P37840 2/20 0.31
▸ HTR2B P41595 1/20 0.30
▸ NOS2 P35228 1/20 0.30

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 1.00 MAPT (0.33) MAPTMEN1KMT2AJAK2CA12
SCHEMBL7019655 0.80 CA12 (0.37) MAPTCA12CA1CA2CA9
SCHEMBL30955850 0.79 MAPT (0.35) MAPTMEN1KMT2AJAK2CA12
SCHEMBL30603084 0.72 MAPT (0.53) MAPTCA12
SCHEMBL10871376 0.69 JAK2 (0.33) JAK2HTR2BNOS2
SCHEMBL30785015 0.69 NOS2 (0.41) JAK2CA12CA1CA2CA9
SCHEMBL15291319 0.69 JAK2 (0.39) MEN1KMT2AJAK2CA12CA1
SCHEMBL3692774 0.69 NOS2 (0.41) JAK2CA12CA1CA2CA9
SCHEMBL3692772 0.69 NOS2 (0.41) JAK2CA12CA1CA2CA9
SCHEMBL7591081 0.68 MAPT (0.57) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5272143-A 6-oxoazepinoindole compounds, and pharmaceutical compositions containing them KALI-CHEMIE PHARMA GMBH (DE) 1993-12-21 — — US disclosed
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