SCHEMBL5205237

SCHEMBL5205237

Cn1cc(C(N)=O)c(C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 1/20 0.36
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
METAP2 P50579 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA1D P25100 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
BCAT2 O15382 1/20 0.33
MAP2K2 P36507 2/20 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
SCHEMBL4659254 0.79 SCN9A (0.37) KDM4EPARP1MEN1KMT2AMAP2K2
SCHEMBL23772003 0.77 L3MBTL1 (0.36) KDM4EPARP1MEN1KMT2AL3MBTL1
SCHEMBL715572 0.75 CA12 (0.47) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL69773 0.74 NOTUM (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5175113 0.70 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL17144775 0.69 KDM4E (0.38) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL29002489 0.69 ADORA2A (0.42) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL10103745 0.69 NR4A2 (0.48) KDM4EALDH1A1TSHRHSD17B10MEN1
SCHEMBL5176186 0.69 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL15051286 0.67 ALDH1A1 (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10

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