SCHEMBL5697196

SCHEMBL5697196

CCO[Si](CCCNCc1cc[c]cc1)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRM2 P08172 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOA P21397 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN8A Q9UQD0 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
SCHEMBL13029177 0.84 HRH4 (0.57) KDM4ETHRBTDP1HRH4HRH3
SCHEMBL136399 0.84 MAOA (0.55) TDP1CHRM2MAOAMEN1KMT2A
SCHEMBL5697097 0.83 CHRM2 (0.57) KDM4ETHRBTDP1HRH4HRH3
SCHEMBL5697094 0.82 KDM4E (0.43) KDM4ETHRBTDP1HRH4HRH3
Ethylene SCHEMBL27935498 0.82 MAOA (0.51) TDP1CHRM2MAOAMEN1KMT2A
SCHEMBL4135709 0.82 CHRM2 (0.54) TDP1CHRM2MAOAMEN1KMT2A
SCHEMBL6656895 0.82 KDM4E (0.43) KDM4ETHRBTDP1HRH4HRH3
SCHEMBL9761086 0.81 CHRM2 (0.62) TDP1CHRM2MAOAMEN1KMT2A
SCHEMBL15360778 0.80 MAOA (0.58) TDP1HRH4HRH3CHRM2MAOA
SCHEMBL29008123 0.78 MAOA (0.50) TDP1CHRM2MAOAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325939-B1 Process for preparing co-gels having polyazacycloalkane moieties and their use AIR LIQUIDE (FR) 2006-06-14 EP claimed
EP-1070722-B1 Silica with polyazacycloalkane units containing more than six nitrogen atoms, process for their preparation and use AIR LIQUIDE (FR) 2004-08-11 EP claimed
EP-1325939-A2 Process for preparing co-gels having polyazacycloalkane moieties and their use L'Air Liquide S. A. à Directoire et Conseil de Surveillance pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2003-07-09 EP claimed
EP-1051422-B1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS AIR LIQUIDE (FR) 2003-07-02 EP claimed
EP-1070722-A9 Silica with polyazacycloalkane units containing more than six nitrogen atoms, process for their preparation and use L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2001-04-04 EP claimed
EP-1070722-A1 Silica with polyazacycloalkane units containing more than six nitrogen atoms, process for their preparation and use L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2001-01-24 EP claimed
EP-1051422-A1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2000-11-15 EP claimed
WO-1999037656-A1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS L'AIR LIQUIDE SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1999-07-29 WO claimed
EP-1325939-B1 Process for preparing co-gels having polyazacycloalkane moieties and their use AIR LIQUIDE (FR) 2006-06-14 EP disclosed
EP-1070722-B1 Silica with polyazacycloalkane units containing more than six nitrogen atoms, process for their preparation and use AIR LIQUIDE (FR) 2004-08-11 EP disclosed
EP-1325939-A2 Process for preparing co-gels having polyazacycloalkane moieties and their use L'Air Liquide S. A. à Directoire et Conseil de Surveillance pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2003-07-09 EP disclosed
EP-1051422-B1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS AIR LIQUIDE (FR) 2003-07-02 EP disclosed
EP-1070722-A9 Silica with polyazacycloalkane units containing more than six nitrogen atoms, process for their preparation and use L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2001-04-04 EP disclosed
EP-1070722-A1 Silica with polyazacycloalkane units containing more than six nitrogen atoms, process for their preparation and use L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2001-01-24 EP disclosed
EP-1051422-A1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2000-11-15 EP disclosed
WO-1999037656-A1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS L'AIR LIQUIDE SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1999-07-29 WO disclosed