SCHEMBL453478

SCHEMBL453478

CC(=Nc1c(C)cc(C)cc1C)c1cccc(C(C)=Nc2c(C)cc(C)cc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.33
PAX8 Q06710 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 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
SCHEMBL453477 1.00 HSP90AA1 (0.36) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5587833 0.98 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5590270 0.98 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5588611 0.98 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5588127 0.98 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5587427 0.98 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5588774 0.98 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
Hydrochloric Acid SCHEMBL811295 0.97 PAX8 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
Hydrochloric Acid SCHEMBL817480 0.97 PAX8 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
Hydrochloric Acid SCHEMBL7175041 0.97 PAX8 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
EP-2794691-B1 PROCESS FOR CONTROLLING THE POLYMER COMPOSITION OF AN ETHYLENE COPOLYMER OBTAINED BY A CATALYST SYSTEM COMPRISING A TRANSITION METAL CATALYST COMPONENT AND A ZIEGLER CATALYST COMPONENT BASELL POLYOLEFINE GMBH (DE) 2016-06-22 EP disclosed
US-9273168-B2 Polyethylene for rotomoulding BASELL POLYOLEFINE GMBH (DE) 2016-03-01 US disclosed
US-9090762-B2 Polyethylene composition suitable for the preparation of films and process for preparing the same BASELL POLYOLEFINE GMBH (DE) 2015-07-28 US disclosed
US-8957158-B2 Impact resistant LLDPE composition and films made thereof BASELL POLYOLEFINE GMBH (DE) 2015-02-17 US disclosed
EP-2794691-A1 PROCESS FOR CONTROLLING THE POLYMER COMPOSITION OF AN ETHYLENE COPOLYMER OBTAINED BY A CATALYST SYSTEM COMPRISING A TRANSITION METAL CATALYST COMPONENT AND A ZIEGLER CATALYST COMPONENT Basell Polyolefine GmbH (DE) 2014-10-29 EP disclosed
US-8865834-B2 Adhesive polymer composition BASELL POLYOLEFINE GMBH (DE) 2014-10-21 US disclosed
US-8846188-B2 Impact resistant LLDPE composition and films made thereof Basell Poliolefine GmbH (DE) 2014-09-30 US disclosed
US-8802803-B2 Polyethylene for rotomoulding BASELL POLYOLEFINE GMBH (DE) 2014-08-12 US disclosed
WO-2005103096-A1 POLYETHYLENE FOR INJECTION MOLDINGS BASELL POLYOLEFINE GMBH (DE) 2005-11-03 WO disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed
EP-1448628-A2 COPOLYMERS OF OLEFINS AND VINYL- AND ALLYLSILANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-08-25 EP disclosed
US-20040127382-A1 Use of transition metal complexes with nitrogen-containing polydentate ligands as a bleaching catalyst and bleaching agent composition DEGUSSA AG (DE) 2004-07-01 US disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed
US-20030212226-A1 Copolymers of olefins and vinyl- and allylsilanes E. I. DU PONT DE NEMOURS AND COMPANY 2003-11-13 US disclosed
WO-2003044066-A2 COPOLYMERS OF OLEFINS AND VINYL- AND ALLYLSILANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-30 WO disclosed
EP-1059313-A1 Transition metal catalyst component for polymerization, aromatic vinyl compound-olefin copolymer and process for its production by means of the catalyst component DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-12-13 EP disclosed