SCHEMBL8549382

SCHEMBL8549382

CN=C(NCC1CCCO1)N[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 5/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8549380 1.00 KEAP1 (0.47) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL8587030 0.78 KMT2A (0.50) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL3866300 0.78 KEAP1 (0.47) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL3866295 0.78 KEAP1 (0.47) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL8549912 0.75 SIGMAR1 (0.33) KMT2AMEN1
SCHEMBL8549909 0.75 SIGMAR1 (0.33) KMT2AMEN1
Dinotefuran SCHEMBL28854297 0.73 NAMPT (0.31)
SCHEMBL6903269 0.71 KEAP1 (0.52) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL6903267 0.71 KEAP1 (0.52) KEAP1NFE2L2SMN1; SMN2USP2KDM4E
SCHEMBL6188391 0.71 KEAP1 (0.44) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1099418-C Tetrahydro-3-furanyl methylamine MITSUI CHEMICALS INC (JP) 2003-01-22 CN disclosed
CN-1046508-C (tetrahydro-3-furanyl) methylamine derivatives, insecticides containing the same and intermediates thereof MITSUI TOATSU CHEMICALS (JP) 1999-11-17 CN disclosed
CN-1220991-A Tetrahydro-3-furanyl methylamine MITSUI CHEMICALS INC (JP) 1999-06-30 CN disclosed
EP-0649845-B1 Furanyl insecticide MITSUI CHEMICALS INC (JP) 1998-07-22 EP disclosed
US-5532365-A NITROGUANIDINE COMPOUNDS AS INSECTICIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-02 US disclosed
CN-1112556-A Furanyl pesticide MITSUI TOATSU CHEMICALS (JP) 1995-11-29 CN disclosed
US-5434181-A FOR USE IN AGRICULTURAL CHEMICALS MITSUI TOATSU CHEMICALS, INC. (JP) 1995-07-18 US disclosed
EP-0649845-A1 Furanyl insecticide MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-04-26 EP disclosed