SCHEMBL3966809

SCHEMBL3966809

CC1=C(N)CCCCC1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
KMT2A Q03164 1/20 0.44
NOS3 P29474 11/20 0.38
NOS1 P29475 11/20 0.38
NOS2 P35228 11/20 0.38
HRH2 P25021 2/20 0.35
HRH3 Q9Y5N1 2/20 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
SCHEMBL517222 0.95
SCHEMBL516429 0.84
SCHEMBL1053411 0.74 CA1 (0.50) CA1CA2CA4KMT2ANOS3
SCHEMBL4629485 0.72
SCHEMBL1051636 0.72 KMT2A (0.52) CA1CA2CA4KMT2ANOS3
SCHEMBL1051638 0.72 KMT2A (0.52) CA1CA2CA4KMT2ANOS3
SCHEMBL7557744 0.72 KMT2A (0.52) CA1CA2CA4KMT2ANOS3
SCHEMBL7557757 0.72 KMT2A (0.52) CA1CA2CA4KMT2ANOS3
SCHEMBL4468 0.70
SCHEMBL5395365 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992630-B1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins TICONA GMBH (DE) 2012-10-31 EP disclosed
EP-1480987-B1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE HOLDING GMBH (DE) 2009-07-29 EP disclosed
EP-1992630-A1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins Celanese Holding GmbH (DE) 2008-11-19 EP disclosed
EP-1480987-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS Celanese Ventures GmbH (DE) 2004-12-01 EP disclosed
EP-1290002-B1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-01-21 EP disclosed
WO-2003072584-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-09-04 WO disclosed
EP-1290002-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2003-03-12 EP disclosed
WO-2001090112-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-11-29 WO disclosed