SCHEMBL8600065

SCHEMBL8600065

CCCCCC(=O)c1nccc(N)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.42
FAAH O00519 6/20 0.39
HSD17B3 P37058 6/20 0.37
ALDH1A1 P00352 2/20 0.37
CES1 P23141 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
DAGLA Q9Y4D2 2/20 0.36

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
SCHEMBL8598969 0.81 ALDH1A1 (0.46) ALDH1A1
SCHEMBL8601107 0.81 NAAA (0.45) ALDH1A1
SCHEMBL8597037 0.79 FAAH (0.41) FAAHHSD17B3ALDH1A1CES1TRPV1
SCHEMBL8561746 0.77 PDE3B (0.40) ALDH1A1
SCHEMBL8600883 0.76 LMNA (0.46) CDC25BFAAHALDH1A1DAGLA
SCHEMBL8562662 0.75 KDM4E (0.39) ALDH1A1
SCHEMBL8565282 0.75 KDM4E (0.42) ALDH1A1
SCHEMBL8597378 0.75 MEN1 (0.41) ALDH1A1
SCHEMBL1244915 0.75 FAAH (0.50) FAAHDAGLA
SCHEMBL28203110 0.74 MEN1 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed