SCHEMBL22013138

SCHEMBL22013138

CC(C)(C)OC(=O)n1cc(CC(N)N)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
EPHX1 P07099 1/20 0.60
ADAM17 P78536 1/20 0.50
PDE10A Q9Y233 1/20 0.47
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
ACHE P22303 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PIM1 P11309 1/20 0.43
MARK3 P27448 1/20 0.43
MAP4K2 Q12851 1/20 0.43
CAMK2B Q13554 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 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
SCHEMBL487203 0.89 L3MBTL1 (0.63) L3MBTL1EPHX1ADAM17PDE10AHTR6
SCHEMBL17658726 0.89 L3MBTL1 (0.60) L3MBTL1EPHX1ADAM17PDE10AHTR6
SCHEMBL29918287 0.89 L3MBTL1 (0.63) L3MBTL1EPHX1ADAM17PDE10AHTR6
SCHEMBL29400976 0.89 L3MBTL1 (0.60) L3MBTL1EPHX1ADAM17PDE10AHTR6
SCHEMBL18920985 0.89 L3MBTL1 (0.60) L3MBTL1EPHX1ADAM17PDE10AHTR6
SCHEMBL18528126 0.89 L3MBTL1 (0.60) L3MBTL1EPHX1ADAM17PDE10AHTR6
SCHEMBL30912341 0.89 EPHX1 (0.62) L3MBTL1EPHX1ADAM17PDE10AHTR6
SCHEMBL21146296 0.89 L3MBTL1 (0.60) L3MBTL1EPHX1ADAM17PDE10AHTR6
SCHEMBL487202 0.89 L3MBTL1 (0.63) L3MBTL1EPHX1ADAM17PDE10AHTR6
SCHEMBL13109139 0.88 L3MBTL1 (0.65) L3MBTL1EPHX1ADAM17PDE10AHTR6

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
WO-2020099596-A1 NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 UNIVERSITE DE ROUEN NORMANDIE (FR) 2020-05-22 WO disclosed