SCHEMBL6162687

SCHEMBL6162687

CCCc1nc(CCC)c(CCC)nc1CCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
GLP1R P43220 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 2/20 0.32
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
ATM Q13315 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
LCK P06239 1/20 0.31
GLA P06280 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL6657408 0.81 KDM4E (0.38) MAPK1RECQLKDM4EALDH1A1GAA
SCHEMBL5138095 0.79 HRH3 (0.41) MAPK1ALDH1A1GAANOS2
SCHEMBL16575419 0.76 KDM4E (0.35) MAPK1RECQLKDM4EALDH1A1GAA
SCHEMBL16389759 0.76 ATM (0.42) MAPK1RECQLKDM4EALDH1A1GAA
SCHEMBL11329592 0.76 MAPK1 (0.34) MAPK1RECQLKDM4EALDH1A1GAA
SCHEMBL27851831 0.74 KDM4E (0.54) KDM4EALDH1A1GAAHPGDATM
SCHEMBL9580119 0.73 ALDH1A1 (0.35) MAPK1RECQLALDH1A1HPGD
SCHEMBL9580099 0.73 HPGD (0.35) MAPK1ALDH1A1GLP1RHPGDHEXA
SCHEMBL7154330 0.72 PDE10A (0.36) MAPK1RECQLKDM4EALDH1A1POLB
SCHEMBL12539077 0.72 PDK2 (0.37) MAPK1RECQLKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353992-B1 NOVEL POLYMER BINDER SYSTEMS COMPRISING IONIC LIQUIDS CREAVIS GES FUER TECHNOLOGIEUN (DE) 2005-02-09 EP disclosed
US-20040054041-A1 NOVEL POLYMER BINDER SYSTEMS COMPRISING IONIC LIQUIDS DEGUSSA AG (DE) 2004-03-18 US disclosed
EP-1353992-A1 NOVEL POLYMER BINDER SYSTEMS COMPRISING IONIC LIQUIDS Creavis Gesellschaft für Technologie und Innovation mbH (DE) 2003-10-22 EP disclosed
WO-2002083790-A1 BINDING AGENT MADE FROM POLYMER COMPOSITIONS CONTAINING ACID GROUPS WITH ADJUSTABLE ELECTRICAL AND THERMAL PROPERTIES CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2002-10-24 WO disclosed
WO-2002053636-A1 NOVEL POLYMER BINDER SYSTEMS COMPRISING IONIC LIQUIDS CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2002-07-11 WO disclosed
WO-2002048275-A1 USE OF A BINDING SYSTEM CONSISTING OF (METH)ACRYLATE POLYMER COMPOSITIONS HAVING VARIABLE ELECTRICAL AND THERMAL PROPERTIES, AS A MATERIAL IN ELECTRICAL AND/OR ELECTRONIC COMPONENTS CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2002-06-20 WO disclosed