SCHEMBL1034069

SCHEMBL1034069

CC(C)(C)C(CCCOC(N)=O)Nc1c(N)cnc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4B Q07343 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
TP53 P04637 1/20 0.33
TOP2A P11388 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL1036948 0.88 SMN1; SMN2 (0.34) MEN1PKMKMT2APDE4BMAPT
SCHEMBL29508372 0.82 TLR8 (0.40) PDE4BLMNANPSR1SMN1; SMN2LRRK2
SCHEMBL23924927 0.79 LRRK2 (0.38) MEN1PKMKMT2APDE4BMAPT
SCHEMBL23924929 0.79 LRRK2 (0.38) MEN1PKMKMT2APDE4BMAPT
SCHEMBL5270377 0.79 LRRK2 (0.38) MEN1PKMKMT2AMAPTTP53
SCHEMBL28888309 0.77 MEN1 (0.46) MEN1PKMKMT2APDE4BLMNA
SCHEMBL28674921 0.76 TLR8 (0.41) MEN1PKMKMT2ALRRK2
SCHEMBL29508394 0.76 TLR8 (0.41) MEN1PKMKMT2ALRRK2
SCHEMBL23924991 0.75 LRRK2 (0.36) MEN1PKMKMT2AMAPTKDM4E
SCHEMBL23924989 0.75 LRRK2 (0.36) MEN1PKMKMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386557-A1 Novel substituted imidazoquinolines 4SC AG (DE) 2011-11-16 EP disclosed
US-8040157-B2 Digital circuits with adaptive resistance to single event upset RAYTHEON COMPANY (US) 2011-10-18 US disclosed
EP-2276486-A2 NOVEL SUBSTITUTED IMIDAZOQUINOLINES 4SC AG (DE) 2011-01-26 EP disclosed