SCHEMBL7781065

SCHEMBL7781065

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
ANPEP P15144 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NOS2 P35228 1/20 0.34
MEN1 O00255 1/20 0.34
HCAR3 P49019 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 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 0.68 KMT2A (0.37) KMT2AUSP2KEAP1NFE2L2HPGD
SCHEMBL5674453 0.66 USP2 (0.46) KMT2AUSP2SMN1; SMN2HPGDTP53
SCHEMBL10310295 0.66 SMN1; SMN2 (0.54) KMT2AUSP2SMN1; SMN2HPGDTP53
SCHEMBL1345212 0.66 USP2 (0.40) KMT2AUSP2SMN1; SMN2HPGDTP53
SCHEMBL7781069 0.66 ALDH1A1 (0.36) KMT2AKEAP1NFE2L2HPGDKDM4E
SCHEMBL20543621 0.65 SMN1; SMN2 (0.45) KMT2AUSP2SMN1; SMN2HPGDTP53
SCHEMBL8587030 0.65 KMT2A (0.50) KMT2AUSP2SMN1; SMN2KEAP1NFE2L2
SCHEMBL27865730 0.64 KMT2A (0.43) KMT2AUSP2SMN1; SMN2KEAP1NFE2L2
SCHEMBL23042488 0.64 SMN1; SMN2 (0.44) KMT2AUSP2SMN1; SMN2HPGDTP53
SCHEMBL14322074 0.64 USP2 (0.44) KMT2AUSP2SMN1; SMN2HPGDTP53

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