SCHEMBL7781069

SCHEMBL7781069

N=C(N)N(CC1CCCO1)C[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OXTR P30559 4/20 0.36
KMT2A Q03164 3/20 0.36
AVPR1A P37288 2/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
NOS2 P35228 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 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
SCHEMBL8622327 0.79 KMT2A (0.37) ALDH1A1L3MBTL1KMT2AKEAP1NFE2L2
SCHEMBL7746256 0.68 KMT2A (0.35) ALDH1A1L3MBTL1KMT2AKEAP1NFE2L2
SCHEMBL8760246 0.67
SCHEMBL7781065 0.66 KMT2A (0.38) ALDH1A1KMT2AKEAP1NFE2L2NOS2
SCHEMBL27865730 0.64 KMT2A (0.43) ALDH1A1KMT2AKEAP1NFE2L2LMNA
SCHEMBL17318344 0.64 KEAP1 (0.39) ALDH1A1KMT2AKEAP1NFE2L2NOS2
SCHEMBL1345211 0.64 ALDH1A1 (0.39) ALDH1A1OXTRKMT2AAVPR1ALMNA
SCHEMBL11620703 0.64 KMT2A (0.41) ALDH1A1OXTRKMT2ALMNAPOLB
SCHEMBL7746255 0.64 NOS2 (0.35) ALDH1A1L3MBTL1NOS2POLBHPGD
SCHEMBL14008348 0.63 NOS2 (0.44) ALDH1A1KMT2ANOS2LMNAPOLB

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
JP-2001064106-A INSECTICIDE AND ACARICIDE COMPOSITION SUMITOMO CHEM CO LTD 2001-03-13 JP disclosed