SCHEMBL7746255

SCHEMBL7746255

CN(C(=N)N)C(C1CCCO1)[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 2/20 0.30
HSD17B10 Q99714 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL4541929 0.65 KEAP1 (0.31) ALDH1A1HPGDL3MBTL1CASP3CASP7
SCHEMBL7781069 0.64 ALDH1A1 (0.36) NOS2ALDH1A1HPGDL3MBTL1POLB
SCHEMBL28755001 0.63 NOS2 (0.47) NOS2SMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL3708066 0.63 GAA (0.33) NOS2ALDH1A1HPGDGAAL3MBTL1
SCHEMBL8622327 0.63 KMT2A (0.37) NOS2ALDH1A1HPGDL3MBTL1POLB
SCHEMBL6293622 0.58
SCHEMBL28824409 0.58 SMN1; SMN2 (0.35) NOS2SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL14894832 0.58 SLC6A3 (0.39) NOS2SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL10518798 0.58 SLC6A3 (0.33)
SCHEMBL3679359 0.58 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDGAAL3MBTL1

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
JP-2001002513-A COMPOSITION FOR CONTROLLING COCKROACH SUMITOMO CHEM CO LTD 2001-01-09 JP disclosed
JP-2001002509-A CONTROL OF HARMFUL ARTHROPOD SUMITOMO CHEM CO LTD 2001-01-09 JP disclosed
JP-2000355509-A EXTERMINATION OF HARMFUL ARTHROPOD SUMITOMO CHEM CO LTD 2000-12-26 JP disclosed