SCHEMBL6903269

SCHEMBL6903269

NC(=N[N+](=O)[O-])NCC1CCCO1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 6/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 5/20 0.46
MCL1 Q07820 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL6903267 1.00 KEAP1 (0.52) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL3866300 0.80 KEAP1 (0.47) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL3866295 0.80 KEAP1 (0.47) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL6188391 0.76 KEAP1 (0.44) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL4812101 0.74 SMN1; SMN2 (0.64) SMN1; SMN2USP2KDM4EHPGDTP53
SCHEMBL8145696 0.73 NAMPT (0.33)
SCHEMBL8145694 0.73 NAMPT (0.33)
SCHEMBL18393466 0.73 NAMPT (0.33)
SCHEMBL8587030 0.72 KMT2A (0.50) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL8549382 0.71 KEAP1 (0.47) KEAP1NFE2L2SMN1; SMN2USP2KDM4E

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
EP-1153545-B1 Prevention of pest feed harm on a fibrous product SUMITOMO CHEMICAL CO (JP) 2004-09-01 EP disclosed