SCHEMBL7093096

SCHEMBL7093096

CC(=O)C(C)=Nc1c(C)cccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 4/20 0.37
CRHR1 P34998 4/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
BRPF1 P55201 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 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
SCHEMBL4351689 0.86 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4351696 0.86 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5354754 0.86 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5588010 0.84 SIGMAR1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL11298156 0.82 SIGMAR1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL11298158 0.82 SIGMAR1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28331648 0.80 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7056457 0.80 SIGMAR1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3736651 0.80 SIGMAR1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6056657 0.78 SIGMAR1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 WO disclosed