SCHEMBL6911049

SCHEMBL6911049

[Li]C1([Si](C)(C)NC2CCCCC2)C=C(N2CCCC2)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL27455380 0.86 ALDH1A1 (0.32) ALDH1A1BCHEACHEMEN1CYP1A2
SCHEMBL6904355 0.81 PDK2 (0.33) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL6749222 0.80 PDK2 (0.32) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL6908963 0.77 HTT (0.36) ALDH1A1MAPTACHEMEN1CYP1A2
SCHEMBL27454709 0.75 ACHE (0.37) MAPTACHESMN1; SMN2
SCHEMBL27455379 0.68 APAF1 (0.43) APAF1TDP2NSD2HKDC1HSD11B1
SCHEMBL6912076 0.68 BCHE (0.38) APAF1TDP2NSD2HKDC1HSD11B1
SCHEMBL6525880 0.67 BCHE (0.38) APAF1TDP2NSD2HKDC1HSD11B1
SCHEMBL6911052 0.64 BCHE (0.37) APAF1HSD11B1ALDH1A1MAPTOPRK1
SCHEMBL7034169 0.63 MAPT (0.36) ALDH1A1MAPTACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923589-B1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-15 EP disclosed
CN-1114609-C 3-heteroatom substituted cyclopentadienyl-containing metal complexes and olefin polymerization process DOW GLOBAL TECHNOLOGIES INC (US) 2003-07-16 CN disclosed
US-6268444-B1 TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION DOW CHEMICAL COMPANY 2001-07-31 US disclosed
CN-1230190-A 3-heteroatom sustituted cyclopentadienyl-containing metal complexes and olefin polymerization process DOW CHEMICAL CO (US) 1999-09-29 CN disclosed
EP-0923589-A1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1999-06-23 EP disclosed
WO-1998006727-A1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1998-02-19 WO disclosed