SCHEMBL30469296

SCHEMBL30469296

CC(C)(C)c1cc(-c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
TSHR P16473 3/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
ACHE P22303 1/20 0.49
PTPRC P08575 1/20 0.48
PGR P06401 4/20 0.47
TDP1 Q9NUW8 1/20 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
SCHEMBL20557478 1.00 LMNA (0.52) LMNATSHRRXRARXRBKEAP1
SCHEMBL2608412 0.92 KEAP1 (0.59) LMNATSHRRXRARXRBKEAP1
SCHEMBL1622291 0.87 MAPT (0.56) LMNATSHRKEAP1NFE2L2MAPT
SCHEMBL30469256 0.87 MAPT (0.56) LMNATSHRKEAP1NFE2L2MAPT
SCHEMBL13917955 0.83 TSHR (0.52) LMNATSHRKEAP1NFE2L2MAPT
SCHEMBL6738366 0.82 TSHR (0.76) LMNATSHRMAPTALDH1A1NPC1
SCHEMBL179286 0.80 PTPRC (0.63) LMNATSHRKEAP1NFE2L2MAPT
SCHEMBL31496742 0.80 PTPRC (0.63) LMNATSHRKEAP1NFE2L2MAPT
SCHEMBL11392466 0.80 TSHR (0.73) LMNATSHRMAPTALDH1A1NPC1
Iodide SCHEMBL30804629 0.80 TSHR (0.73) LMNATSHRMAPTALDH1A1NPC1

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
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 CN disclosed