SCHEMBL5587276

SCHEMBL5587276

CCc1ccccc1N=C(c1ccccc1)c1cccc(C(=Nc2ccccc2CC)c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
GAA P10253 1/20 0.39
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35

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
SCHEMBL14280801 1.00 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5589832 0.98 SIGMAR1 (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14280804 0.86 GABRA1 (0.39) MAPTNPSR1LMNAHTTCYP3A4
SCHEMBL14280809 0.81 ALDH1A1 (0.38) MAPTNPSR1LMNAHTTCYP1A2
SCHEMBL23982843 0.81 NPC1 (0.36) MAPTNPSR1LMNAHTTCYP3A4
SCHEMBL5144787 0.80 SIGMAR1 (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5144785 0.80 SIGMAR1 (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14280806 0.80 ESR2 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5588070 0.80 ESR2 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7145153 0.78 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed