SCHEMBL1128050

SCHEMBL1128050

Cc1c(C)c(C(C)C)c(N=C=O)c(C)c1N=C=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL8769838 0.88 CYP3A4 (0.33) CYP3A4GABRA1GABRB2
SCHEMBL1459319 0.85 CYP3A4 (0.34) CYP3A4GABRA1GABRB2
SCHEMBL28344084 0.79 CYP3A4 (0.42) CYP3A4GABRA1GABRB2
SCHEMBL2835593 0.79 CYP3A4 (0.46) CYP3A4GABRA1GABRB2
SCHEMBL57779 0.79 CYP3A4 (0.46) CYP3A4GABRA1GABRB2
SCHEMBL29010423 0.78 CYP3A4 (0.32) CYP3A4GABRA1GABRB2
SCHEMBL403882 0.77 GABRA1 (0.38) CYP3A4GABRA1GABRB2
SCHEMBL7747680 0.77 CYP3A4 (0.44) CYP3A4GABRA1GABRB2
Water SCHEMBL27841311 0.75 GABRA1 (0.37) CYP3A4GABRA1GABRB2
SCHEMBL28795111 0.74 CYP3A4 (0.42) CYP3A4GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328595-B1 POLYMERIC AQUEOUS COATING COMPOSITIONS DSM IP ASSETS BV (NL) 2019-02-06 EP claimed
US-7217758-B2 Polymeric aqueous coating compositions DSM IP ASSETS B.V. (NL) 2007-05-15 US claimed
EP-1606335-A1 ORGANOPOLYSILOXANE/POLY UREA/POLYURETHANE BLOCK COPOLYMERS Consortium für elektrochemische Industrie GmbH (DE) 2005-12-21 EP claimed
EP-1606336-A1 METHOD FOR THE PRODUCTION OF ORGANOPOLYSILOXANE COPOLYMERS AND USE THEREOF Consortium für elektrochemische Industrie GmbH (DE) 2005-12-21 EP claimed
WO-2004085517-A1 METHOD FOR THE PRODUCTION OF ORGANOPOLYSILOXANE COPOLYMERS AND USE THEREOF Consortium für elektrochemische Industrie GmbH (DE) 2004-10-07 WO claimed
WO-2004085516-A1 ORGANOPOLYSILOXANE/POLY UREA/POLYURETHANE BLOCK COPOLYMERS Consortium für elektrochemische Industrie GmbH (DE) 2004-10-07 WO claimed
US-20030191236-A1 Polymeric aqueous coating compositions COVESTRO (NETHERLANDS) B.V. (NL) 2003-10-09 US claimed
EP-1328595-A1 POLYMERIC AQUEOUS COATING COMPOSITIONS Avecia B.V. (NL) 2003-07-23 EP claimed
EP-1056703-B1 COLORANT HAVING ISOCYANATE SUBSTITUENT MILLIKEN RES CORP (US) 2003-04-16 EP claimed
WO-2002033013-A1 POLYMERIC AQUEOUS COATING COMPOSITIONS AVECIA B.V. (NL) 2002-04-25 WO claimed
EP-1328595-B1 POLYMERIC AQUEOUS COATING COMPOSITIONS DSM IP ASSETS BV (NL) 2019-02-06 EP disclosed
EP-2310442-B1 USE OF AN ORGANOPOLYSILOXANE/POLYUREA BLOCK COPOLYMER AS A COATING ON PLASTIC SURFACES TESA SE (DE) 2017-01-04 EP disclosed
US-9498426-B2 Process for treating hair fibers using polysiloxane/polyurea L'OREAL (FR) 2016-11-22 US disclosed
EP-2074986-B1 Process for treating hair fibres using polysiloxane/polyurea OREAL (FR) 2013-05-15 EP disclosed
EP-2212394-B1 FLUOROPOLYMER-SILICON COMPOUNDS AND METHOD FOR PRODUCTION WACKER CHEMIE AG (DE) 2012-12-05 EP disclosed
US-20030191236-A1 Polymeric aqueous coating compositions COVESTRO (NETHERLANDS) B.V. (NL) 2003-10-09 US disclosed
EP-1328595-A1 POLYMERIC AQUEOUS COATING COMPOSITIONS Avecia B.V. (NL) 2003-07-23 EP disclosed
WO-2003018704-A1 MOISTURE CROSS-LINKING ELASTIC COMPOSITION Consortium für elektrochemische Industrie GmbH (DE) 2003-03-06 WO disclosed
WO-2002077072-A1 SILANE-TERMINATED POLYDIORGANOSILOXANE URETHANE COPOLYMER Consortium für elektrochemische Industrie GmbH (DE) 2002-10-03 WO disclosed
WO-2002033013-A1 POLYMERIC AQUEOUS COATING COMPOSITIONS AVECIA B.V. (NL) 2002-04-25 WO disclosed