SCHEMBL6906910

SCHEMBL6906910

[Li]C1C=C(N(C)c2ccccc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.42
PTPN1 P18031 1/20 0.42
GPR3 P46089 1/20 0.37
CES2 O00748 2/20 0.33
HTR6 P50406 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A3 O75751 1/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDK2 Q15119 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
CHKA P35790 1/20 0.30
NR3C2 P08235 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
SCHEMBL8028884 0.67 GPR3 (0.37) GPR3KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL22931682 0.65 MEN1 (0.52) CES1PTPN1KMT2ALMNASMN1; SMN2
SCHEMBL6567354 0.65 MEN1 (0.52) CES1PTPN1KMT2ALMNASMN1; SMN2
SCHEMBL20385081 0.65 MEN1 (0.52) CES1PTPN1KMT2ALMNASMN1; SMN2
Benzene SCHEMBL14537401 0.65 MEN1 (0.52) CES1PTPN1KMT2ALMNASMN1; SMN2
SCHEMBL31886 0.65 MEN1 (0.52) CES1PTPN1KMT2ALMNASMN1; SMN2
SCHEMBL20733764 0.62 GPR3 (0.38) CES1PTPN1GPR3SLC22A2SLC22A3
SCHEMBL7155149 0.62 NR3C2 (0.56) CES1PTPN1KMT2ALMNAMAPT
Water SCHEMBL10955435 0.62 CHKA (0.50) CES1PTPN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1764754 0.62 CHKA (0.50) CES1PTPN1KMT2ALMNASMN1; SMN2

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