SCHEMBL27320266

SCHEMBL27320266

C#CCN1c2cc([N+](=O)[O-])ccc2OCC1C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 4/20 0.39
▸ CHRNA3 P32297 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.32
▸ MGAM O43451 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 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
SCHEMBL27501737 0.81 CHRNB4 (0.33) CHRNB4CHRNA3
SCHEMBL27301133 0.77 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2GAALMNAMAOA
SCHEMBL8878727 0.72 SLC5A1 (0.46) ALDH1A1MEN1KMT2AHTTTP53
SCHEMBL23769124 0.68 KMT2A (0.41) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL27579973 0.68 — —
SCHEMBL31490139 0.68 KMT2A (0.41) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL25138303 0.67 POLB (0.46) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL27816709 0.66 CHRNB4 (0.50) CHRNB4CHRNA3ALDH1A1GAAMEN1
SCHEMBL23769068 0.66 POLB (0.40) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL29979518 0.66 POLB (0.40) ALDH1A1MAPTMEN1KMT2AHTT

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-1049770-A Weeding glutaramic acid and its derivative ROHM & HAAS (US) 1991-03-13 — — CN disclosed
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