SCHEMBL6906915

SCHEMBL6906915

[Li]C1C=C(Nc2ccccc2C)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
HTT P42858 4/20 0.36
TP53 P04637 1/20 0.36
STAT3 P40763 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
MAPK10 P53779 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
APAF1 O14727 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 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
SCHEMBL6911227 0.73 LMNA (0.35) LMNAHTTTP53STAT3MAPT
SCHEMBL8028884 0.69 GPR3 (0.37) LMNATP53MAPTHPGDMEN1
SCHEMBL4800221 0.68 RAPGEF4 (0.55) HTTTP53MAPTHPGDMAPK10
SCHEMBL183017 0.67 HTT (0.59) LMNAHTTTP53MAPTHPGD
SCHEMBL29511793 0.67 HTT (0.59) LMNAHTTTP53MAPTHPGD
SCHEMBL15895405 0.66 FABP4 (0.55) LMNAHTTMAPTHPGDMAPK10
SCHEMBL1713041 0.65 HTT (0.56) LMNAHTTTP53MAPTHPGD
Water SCHEMBL8601906 0.65 HTT (0.56) LMNAHTTTP53MAPTHPGD
Hydrochloric Acid SCHEMBL3212348 0.65 HTT (0.56) LMNAHTTTP53MAPTHPGD
SCHEMBL17858123 0.64 RAPGEF4 (0.71) HTTMAPTMAPK10MEN1KMT2A

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