SCHEMBL11412219

SCHEMBL11412219

C#CC(C)(CC)NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11419124 0.84 LMNA (0.36) L3MBTL1HTTLMNAALDH1A1
SCHEMBL11407139 0.77 L3MBTL1 (0.55) L3MBTL1HTTKDM4EMEN1KMT2A
SCHEMBL7022881 0.76 L3MBTL1 (0.43) L3MBTL1HTTLMNAALDH1A1KDM4E
SCHEMBL24312282 0.75 L3MBTL1 (0.49) L3MBTL1HTTLMNAMEN1KMT2A
SCHEMBL11407793 0.73
SCHEMBL729760 0.70
SCHEMBL11410132 0.70 CRBN (0.32) LMNAALDH1A1
SCHEMBL10818854 0.70 L3MBTL1 (0.39) L3MBTL1HTTLMNA
SCHEMBL10818851 0.70 L3MBTL1 (0.39) L3MBTL1HTTLMNAALDH1A1
Fluoride SCHEMBL28884982 0.69 EPHX1 (0.42) L3MBTL1HTTALDH1A1KDM4EMEN1

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
US-4223041-A Urea derivatives to treat anxiety and aggressivity LABAZ (FR) 1980-09-16 US disclosed