SCHEMBL6908964

SCHEMBL6908964

[Li]C1=C(N2CCCC2)c2ccccc2C1[Si](C)(C)NCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
CACNA1G O43497 3/20 0.34
DPP7 Q9UHL4 1/20 0.32
AKT1 P31749 1/20 0.32
DPP4 P27487 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
POLB P06746 1/20 0.32
KLF5 Q13887 1/20 0.32

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
SCHEMBL7949111 0.99 HTT (0.35) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6910553 0.80 APAF1 (0.33) HTTALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6904356 0.79 MAPT (0.35) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL6911052 0.78 BCHE (0.37) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6909565 0.74 CACNA1G (0.37) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6903006 0.66 APAF1 (0.36) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6908963 0.63 HTT (0.36) HTTALDH1A1MEN1KMT2ACYP1A2
Lithium SCHEMBL7949113 0.62 HTT (0.35) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7949108 0.62 HTT (0.35) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3273386 0.58 IDO1 (0.54) HTTALDH1A1MEN1KMT2AMAPT

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