SCHEMBL5232007

SCHEMBL5232007

CN(C(=O)c1nccnc1C(=O)Nc1ccc(N2CCOC2=N)cc1)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.36
LRRK2 Q5S007 1/20 0.35
RET P07949 1/20 0.35
KIT P10721 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PANK3 Q9H999 1/20 0.33
MAPK14 Q16539 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
CD38 P28907 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5234662 0.91 RET (0.35) LMNARETHTTALDH1A1MAPT
SCHEMBL8259326 0.90 RET (0.40) LRRK2RETALDH1A1MAPTPANK3
SCHEMBL4886035 0.87 SCN5A (0.39) LMNALRRK2RETHTTALDH1A1
SCHEMBL8260824 0.82 KMT2A (0.40) LRRK2RET
SCHEMBL8256205 0.80 RET (0.40) RETALDH1A1MAPT
SCHEMBL4882152 0.80 KMT2A (0.38) LMNASIRT2LRRK2HTTALDH1A1
SCHEMBL5231707 0.79 SIRT2 (0.34) LMNASIRT2LRRK2RETHTT
SCHEMBL4885304 0.78 RAB9A (0.39) LMNARETHTTALDH1A1MAPT
SCHEMBL4709230 0.74 F10 (0.47)
SCHEMBL5236143 0.73 RAB9A (0.43) ALDH1A1MAPTKDM4E

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-1819701-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-22 EP disclosed
WO-2006058630-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-08 WO disclosed