SCHEMBL6908963

SCHEMBL6908963

[Li]C1([Si](C)(C)NCc2ccccc2)C=C(N2CCCC2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACHE P22303 1/20 0.34
DPP7 Q9UHL4 1/20 0.32
PDE4A P27815 3/20 0.31
PDE4B Q07343 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 0.31
PIK3CB P42338 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
PRMT6 Q96LA8 1/20 0.30
TSHR P16473 2/20 0.30
PKM P14618 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
Lithium SCHEMBL7949113 0.99 HTT (0.35) HTTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7949108 0.99 HTT (0.35) HTTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL27454709 0.89 ACHE (0.37) HTTACHEHRH4TSHRMAPT
SCHEMBL6749222 0.80 PDK2 (0.32) ALDH1A1MAPT
SCHEMBL6904355 0.79 PDK2 (0.33) HTTALDH1A1MAPT
SCHEMBL6911049 0.77 APAF1 (0.32) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL27454711 0.72 ATM (0.32) SIGMAR1
SCHEMBL6909565 0.67 CACNA1G (0.37) HTTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7034169 0.63 MAPT (0.36) HTTKMT2AMEN1ALDH1A1ACHE
SCHEMBL27455380 0.63 ALDH1A1 (0.32) KMT2AMEN1ALDH1A1CYP1A2CYP2D6

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