SCHEMBL8600798

SCHEMBL8600798

CCCCCC(=O)c1cccnc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
ESR2 Q92731 1/20 0.45
DAGLA Q9Y4D2 5/20 0.45

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
SCHEMBL8597579 0.81 HTT (0.40) FAAHHTTALDH1A1POLBMAPT
SCHEMBL8597379 0.80 TSHR (0.58) HTTALDH1A1POLBMAPTESR2
SCHEMBL8597516 0.80 HTT (0.52) HTTALDH1A1
SCHEMBL28134022 0.78 NAPRT (0.51) FAAHHTTALDH1A1MAPTDAGLA
SCHEMBL8600883 0.78 LMNA (0.46) FAAHALDH1A1MAPTDAGLA
SCHEMBL9439903 0.77 KMT2A (0.58) HTTALDH1A1MAPT
SCHEMBL27890805 0.77 FAAH (0.52) FAAHHTTALDH1A1MAPTDAGLA
SCHEMBL8599052 0.76 HTT (0.40) FAAHHTTALDH1A1
SCHEMBL8597037 0.76 FAAH (0.41) FAAHHTTALDH1A1MAPTDAGLA
SCHEMBL8567678 0.76 ALDH1A1 (0.47) HTTALDH1A1POLBMAPTESR2

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