SCHEMBL6550713

SCHEMBL6550713

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
HDAC6 Q9UBN7 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
KCNH2 Q12809 4/20 0.38
AR P10275 2/20 0.38
ACHE P22303 2/20 0.38
EPHX2 P34913 1/20 0.37
HSD11B1 P28845 1/20 0.36
TLR8 Q9NR97 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
IDO1 P14902 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL9798892 0.82 KCNH2 (0.47) ALDH1A1TP53KCNH2
SCHEMBL9278064 0.80 KCNH2 (0.44) ALDH1A1TP53KCNH2
SCHEMBL9229560 0.79 ESR1 (0.46) ESR1HDAC6SLC6A2SLC6A4AR
SCHEMBL8958180 0.78 ALDH1A1 (0.44) ALDH1A1TP53KCNH2
SCHEMBL9821084 0.78 ALDH1A1 (0.44) ESR1HDAC6SLC6A2SLC6A4ALDH1A1
SCHEMBL10621236 0.77 KCNH2 (0.41) ESR1ALDH1A1TP53KCNH2
SCHEMBL25277929 0.75 ALDH1A1 (0.56) ESR1ALDH1A1TP53KCNH2
SCHEMBL25224493 0.75 ALDH1A1 (0.56) ESR1ALDH1A1TP53KCNH2
SCHEMBL25271601 0.75 ALDH1A1 (0.56) ESR1ALDH1A1TP53KCNH2
SCHEMBL25271939 0.75 ALDH1A1 (0.56) ESR1ALDH1A1TP53KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487887-A2 POLYCYCLIC, FUSED HETERORING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS Dow Global Technologies Inc. (US) 2004-12-22 EP disclosed
EP-1487886-A1 SUBSTITUTED INDENYL METAL COMPLEXES AND POLYMERIZATION PROCESS Dow Global Technologies Inc. (US) 2004-12-22 EP disclosed
EP-1401897-A1 ALPHA-OLEFIN BASED BRANCHED POLYMER DOW GLOBAL TECHNOLOGIES INC. (US) 2004-03-31 EP disclosed
EP-1392706-A1 OLEFIN POLYMERIZATION CATALYSTS CONTAINING A PYRROLE BISIMINE LIGAND Univation Technologies LLC (US) 2004-03-03 EP disclosed
EP-1389215-A1 3-ARYL-SUBSTITUTED CYCLOPENTADIENYL METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-02-18 EP disclosed
EP-1383810-A2 GAS PHASE PROCESS FOR POLYMERS WITH GROUP 4 METAL COMPLEX CATALYST ADDITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-01-28 EP disclosed
EP-1373281-A1 METAL COMPLEXES CONTAINING ACETYLENIC LIGANDS, POLYMERIZATION CATALYSTS AND ADDITION POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-01-02 EP disclosed
WO-2003078483-A1 SUBSTITUTED INDENYL METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-09-25 WO disclosed
WO-2003078480-A2 POLYCYCLIC, FUSED HETERORING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-09-25 WO disclosed
WO-2003029256-A1 BULKY AMIDO GROUP SUBSTITUTED GROUP 4 METAL COMPOUNDS AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-04-10 WO disclosed
EP-1299405-A1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 2003-04-09 EP disclosed
WO-2002102863-A1 ALPHA-OLEFIN BASED BRANCHED POLYMER DOW GLOBAL TECHNOLOGIES INC. (US) 2002-12-27 WO disclosed
WO-2002092610-A1 3-ARYL-SUBSTITUTED CYCLOPENTADIENYL METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2002-11-21 WO disclosed
WO-2002090366-A1 OLEFIN POLYMERIZATION CATALYSTS CONTAINING A PYRROLE BISIMINE LIGAND UNIVATION TECHNOLOGIES, LLC (US) 2002-11-14 WO disclosed
WO-2002077045-A2 GAS PHASE PROCESS FOR POLYMERS WITH GROUP 4 METAL COMPLEX CATALYST ADDITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2002-10-03 WO disclosed
WO-2002074779-A1 METAL COMPLEXES CONTAINING ACETYLENIC LIGANDS, POLYMERIZATION CATALYSTS AND ADDITION POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2002-09-26 WO disclosed
WO-2002002577-A1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGY INC. (US) 2002-01-10 WO disclosed