SCHEMBL6656895

SCHEMBL6656895

CCO[Si](CCCNCc1ccc(CBr)cc1)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
MAOA P21397 1/20 0.36

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 0.88 HRH4 (0.57) KDM4ETHRBTDP1CYP1A2CYP2D6
SCHEMBL5697097 0.86 CHRM2 (0.57) KDM4ETHRBTDP1CYP1A2CYP2D6
SCHEMBL5697094 0.85 KDM4E (0.43) KDM4ETHRBTDP1CYP1A2CYP2D6
SCHEMBL136399 0.84 MAOA (0.55) TDP1CHRM2MEN1KMT2AMAOA
SCHEMBL5697196 0.82 KDM4E (0.40) KDM4ETHRBTDP1CYP1A2CYP2D6
Ethylene SCHEMBL27935498 0.82 MAOA (0.51) TDP1CHRM2MEN1KMT2AMAOA
SCHEMBL4135709 0.82 CHRM2 (0.54) TDP1CHRM2MEN1KMT2AMAOA
SCHEMBL9761086 0.81 CHRM2 (0.62) TDP1CHRM2MEN1KMT2AMAOA
SCHEMBL15360778 0.80 MAOA (0.58) TDP1HRH4HRH3CHRM2MEN1
SCHEMBL2948946 0.79 ALDH1A1 (0.33) KDM4ETHRBLMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1051422-B1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS AIR LIQUIDE (FR) 2003-07-02 EP claimed
US-6372903-B1 REACTING POLYAZACYCLOALKANE WITH COMPOUND HAVING FUNCTIONAL SILANE GROUP, CONDENSING PRODUCT WITH SILANOL SITES OF SILICA GEL TO FORM IMMOBILIZED POLYAZACYCLOALKANE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2002-04-16 US claimed
EP-1051257-B1 METHOD FOR PREPARING POLYAZACYCLOALKANES GRAFTED ON SILICA GEL AND USE OF GRAFTED COMPOUNDS AIR LIQUIDE (FR) 2002-04-03 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-1051257-A1 METHOD FOR PREPARING POLYAZACYCLOALKANES GRAFTED ON SILICA GEL AND USE OF GRAFTED COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2000-11-15 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-1999037399-A1 METHOD FOR PREPARING POLYAZACYCLOALKANES GRAFTED ON SILICA GEL AND USE OF GRAFTED COMPOUNDS L'AIR LIQUIDE SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1999-07-29 WO 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-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
US-6534649-B1 Novel material which can be used in separation and purification of gases L'AIR LIQUIDE, SOCIETE ANONYME A DIRECTOIRE ET CONSEIL DE SURVEILLANCE POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2003-03-18 US disclosed
US-6524372-B1 Separation and purification of gases; 1,4,8,11-Tetrakis(3-(triethoxysilyl)propyl)-1,4,8,11 -tetraazacyclotetradecane L′Air Liquide, Societe Anonyme a Directoire et Conseil de Surveillance pour l′Etude et l′Exploitation des Procedes Georges Claude (FR) 2003-02-25 US 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-1051257-A1 METHOD FOR PREPARING POLYAZACYCLOALKANES GRAFTED ON SILICA GEL AND USE OF GRAFTED COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2000-11-15 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
WO-1999037399-A1 METHOD FOR PREPARING POLYAZACYCLOALKANES GRAFTED ON SILICA GEL AND USE OF GRAFTED COMPOUNDS L'AIR LIQUIDE SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1999-07-29 WO disclosed