SCHEMBL6911052

SCHEMBL6911052

[Li]C1=C(N2CCCC2)c2ccccc2C1[Si](C)(C)NC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
APAF1 O14727 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MITF O75030 1/20 0.32
POLB P06746 1/20 0.32
KLF5 Q13887 1/20 0.32
TSHR P16473 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 1/20 0.32
OPRK1 P41145 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6904356 0.82 MAPT (0.35) APAF1NPC1RAB9AHTTLMNA
SCHEMBL6910553 0.81 APAF1 (0.33) APAF1NPC1RAB9AHTTLMNA
SCHEMBL6908964 0.78 HTT (0.36) ACHEAPAF1NPC1HTTLMNA
SCHEMBL7949111 0.77 HTT (0.35) ACHEAPAF1NPC1HTTLMNA
SCHEMBL6912076 0.73 BCHE (0.38) BCHEACHEAPAF1HTTLMNA
SCHEMBL6525880 0.72 BCHE (0.38) BCHEACHEAPAF1HTTLMNA
SCHEMBL6903006 0.67 APAF1 (0.36) APAF1NPC1RAB9AHTTLMNA
SCHEMBL27455379 0.64 APAF1 (0.43) BCHEACHEAPAF1NPC1RAB9A
SCHEMBL7193086 0.64 MEN1 (0.36) BCHEACHENPC1RAB9AHTT
SCHEMBL6911049 0.64 APAF1 (0.32) BCHEACHEAPAF1ALDH1A1MAPT

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
EP-0923589-B1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-15 EP disclosed
US-6268444-B1 TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION DOW CHEMICAL COMPANY 2001-07-31 US 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