SCHEMBL6909170

SCHEMBL6909170

[Li]C1C=C(N2CCCCC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KEAP1 Q14145 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 3/20 0.34
POLB P06746 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 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
SCHEMBL2915443 0.98 APAF1 (0.41) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL23982311 0.79 DRD2 (0.44) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27461952 0.79 APAF1 (0.40) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27535711 0.77 APAF1 (0.40) APAF1TDP2NSD2HKDC1ALDH1A1
Hydrochloric Acid SCHEMBL7633238 0.75 APAF1 (0.37) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27565464 0.75 DRD2 (0.38) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL7633241 0.73 APAF1 (0.36) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27450517 0.73 DRD2 (0.38) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL6910737 0.72 DRD2 (0.40) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL6912076 0.72 BCHE (0.38) APAF1TDP2NSD2HKDC1ALDH1A1

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