SCHEMBL29120529

SCHEMBL29120529

[N-]=[N+]=NCc1ccc(COC(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL15650054 0.81 PARP10 (0.44) PARP10ALDH1A1
SCHEMBL15083519 0.80 CA1 (0.42) HDAC8HDAC3MEN1KMT2ACA2
SCHEMBL30437401 0.80 KMT2A (0.50) MEN1KMT2ACA2PARP10LMNA
SCHEMBL15095783 0.79 HDAC1 (0.33) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL14270206 0.77 HDAC3 (0.51) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL28527802 0.76 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL14189703 0.75 HDAC3 (0.45) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL29710019 0.75 TRPA1 (0.38) MEN1KMT2APARP10PLAULMNA
SCHEMBL2297635 0.74 PARP10 (0.54) CA2PARP10ALDH1A1CA9
SCHEMBL27519597 0.74 POLB (0.57) ALDH1A1

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
CN-117177958-A Small molecule modulators of alveolar type 2cell proliferation for the treatment of pulmonary diseases 斯克里普斯研究学院 2023-12-05 — — CN disclosed
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