SCHEMBL6683632

SCHEMBL6683632

CC(C)CCC(C)Nc1ccc(N=O)cc1C(C)(C)C.Nc1ccccc1N=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL1027890 0.88 NPC1 (0.31)
SCHEMBL1032197 0.72 ALDH1A1 (0.35) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6683635 0.72
SCHEMBL1031989 0.71 LMNA (0.33) SMN1; SMN2
SCHEMBL1030258 0.70 SCN10A (0.34)
SCHEMBL6682446 0.67 KCNH3 (0.34)
SCHEMBL1029810 0.67 ALDH1A1 (0.51) SMN1; SMN2
SCHEMBL6684312 0.65 ALDH1A1 (0.40) SMN1; SMN2
SCHEMBL7765530 0.65 ALDH1A1 (0.31) SMN1; SMN2
SCHEMBL638296 0.63 ALDH1A1 (0.44) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474377-A1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS Crompton Corporation (US) 2004-11-10 EP disclosed
WO-2003070687-A1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS CROMPTON CORPORATION (US) 2003-08-28 WO disclosed