SCHEMBL6906313

SCHEMBL6906313

CN(C1=CCc2ccccc21)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.45
PTPN1 P18031 1/20 0.45
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CES2 O00748 2/20 0.34
MAPK1 P28482 2/20 0.33
NSD2 O96028 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
PDK2 Q15119 1/20 0.32
CHKA P35790 1/20 0.32
NR3C2 P08235 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
SCHEMBL26077691 0.82 CES1 (0.42) CES1PTPN1LMNAMAPTTDP1
SCHEMBL6905039 0.80 MALT1 (0.38) CES1LMNAMAPTHTR6MEN1
SCHEMBL6683871 0.74 HTR6 (0.37) LMNAMAPTNPSR1HTR6MEN1
SCHEMBL20429136 0.73 SMN1; SMN2 (0.35) CES1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL6683589 0.71 TAAR1 (0.46)
SCHEMBL20385081 0.67 MEN1 (0.52) CES1PTPN1LMNASMN1; SMN2NPSR1
SCHEMBL22931682 0.67 MEN1 (0.52) CES1PTPN1LMNASMN1; SMN2NPSR1
SCHEMBL31886 0.67 MEN1 (0.52) CES1PTPN1LMNASMN1; SMN2NPSR1
Benzene SCHEMBL14537401 0.67 MEN1 (0.52) CES1PTPN1LMNASMN1; SMN2NPSR1
SCHEMBL6567354 0.67 MEN1 (0.52) CES1PTPN1LMNASMN1; SMN2NPSR1

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 2 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