SCHEMBL2419933

SCHEMBL2419933

Cc1[nH]cnc1CC(S)CCCC(S)Cc1nc[nH]c1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
GABRR1 P24046 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FDPS P14324 1/20 0.38
SLC47A1 Q96FL8 1/20 0.34
CD44 P16070 1/20 0.33
HTR3A P46098 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
SCHEMBL2417016 0.93 HRH2 (0.48) HRH4HRH3HRH2HRH1TDP1
SCHEMBL13124743 0.75 HRH2 (0.53) HRH4HRH3HRH2HRH1TDP1
SCHEMBL9436244 0.70
SCHEMBL2830891 0.68
SCHEMBL4905447 0.66
SCHEMBL5791428 0.66
Iodide SCHEMBL11133690 0.66 HRH2 (0.52) HRH4HRH3HRH2HRH1TDP1
SCHEMBL13263780 0.66 HRH3 (0.62) HRH4HRH3HRH2HRH1TDP1
SCHEMBL2815963 0.66 GABRR1 (0.57) HRH4HRH3HRH2HRH1TDP1
SCHEMBL2815970 0.66 GABRR1 (0.57) HRH4HRH3HRH2HRH1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730757-B2 CATALYST SYSTEMS COMPRISING A COMPLEX HAVING ONE OF THE FORMULAS LMX1X2 AND LML' AND AN ACTIVATING COCATALYST, AND USE OF THE CATALYST SYSTEM IN POLYMERIZING OLEFINIC MONOMERS. IN EITHER OF THE FOREGOING FORMULAS, L IS A CHELATING LIGAND EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-05-04 US claimed
US-20030171209-A1 Sulfur-containing and sulfur-nitrogen-containing catalysts for polymerization of olefins and polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2003-09-11 US claimed
EP-2235029-B1 NICKEL COMPLEXING COMPOUNDS CONTAINING DIARYL SULFIDE LIGANDS BASF SE (DE) 2011-09-21 EP disclosed
US-6730757-B2 CATALYST SYSTEMS COMPRISING A COMPLEX HAVING ONE OF THE FORMULAS LMX1X2 AND LML' AND AN ACTIVATING COCATALYST, AND USE OF THE CATALYST SYSTEM IN POLYMERIZING OLEFINIC MONOMERS. IN EITHER OF THE FOREGOING FORMULAS, L IS A CHELATING LIGAND EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-05-04 US disclosed
US-20030171209-A1 Sulfur-containing and sulfur-nitrogen-containing catalysts for polymerization of olefins and polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2003-09-11 US disclosed