SCHEMBL7746256

SCHEMBL7746256

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 4/20 0.33
ATM Q13315 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 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
SCHEMBL8622327 0.81 KMT2A (0.37) KMT2AMEN1KEAP1NFE2L2POLB
SCHEMBL7781069 0.68 ALDH1A1 (0.36) KMT2AMEN1KEAP1NFE2L2POLB
SCHEMBL28409477 0.67 MEN1 (0.34) KMT2AMEN1KEAP1NFE2L2ALDH1A1
SCHEMBL8549382 0.64 KEAP1 (0.47) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL8549380 0.64 KEAP1 (0.47) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL27865730 0.63 KMT2A (0.43) KMT2AMEN1KEAP1NFE2L2POLB
SCHEMBL11620703 0.63 KMT2A (0.41) KMT2AMEN1POLBLMNAKDM4E
SCHEMBL6903267 0.63 KEAP1 (0.52) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL6903269 0.63 KEAP1 (0.52) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL11968453 0.63

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