SCHEMBL6231999

SCHEMBL6231999

CCCCCCCCCCCCCCCCCCC(Cc1ccccc1)N(C)C.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E known ✓ P49674 1/20 0.42
CNR2 P34972 3/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.40
MCHR1 Q99705 2/20 0.40
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CTRC Q99895 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL17179997 1.00 CNR2 (0.43) CNR2CSNK1EALDH1A1LMNAGAA
SCHEMBL17180009 0.86 CSNK1E (0.49) CNR2CSNK1EALDH1A1LMNA
SCHEMBL10415255 0.86 CNR2 (0.41) CNR2CSNK1EALDH1A1LMNAMCHR1
Toluene SCHEMBL28069293 0.85 CSNK1E (0.49) CNR2CSNK1E
SCHEMBL10531180 0.83 CNR2 (0.41) CNR2CSNK1EGAAMCHR1CYP2D6
Bicarbonate SCHEMBL8164473 0.82 CSNK1E (0.52) CNR2CSNK1E
Bicarbonate SCHEMBL8168589 0.82 CSNK1E (0.52) CNR2CSNK1E
SCHEMBL10773798 0.82 CSNK1E (0.54) CNR2CSNK1E
SCHEMBL8079460 0.82 CSNK1E (0.54) CNR2CSNK1E
SCHEMBL22442308 0.82 CSNK1E (0.54) CNR2CSNK1E

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-0658818-B1 Toner compositions with compatibilizer XEROX CORP (US) 2000-02-02 EP claimed
US-5994017-A MIXTURE OF RESIN, COLORANT, WAX AND AN ACRYLATE POLYMER COMPATIBILIZER XEROX CORPORATION (US) 1999-11-30 US claimed
US-5955235-A Toner compositions with compatibilizers XEROX CORPORATION (US) 1999-09-21 US claimed
US-5843612-A Toner and developer compositions with compatibilizers XEROX CORPORATION (US) 1998-12-01 US claimed
US-5688625-A Toner compositions with dispersed wax XEROX CORPORATION (US) 1997-11-18 US claimed
EP-0276147-B1 Toner and developer compositions with long chain alcohol waxes XEROX CORP (US) 1996-12-27 EP claimed
US-5516612-A PROVIDING DEVELOPER PARTICLES OF RESINOUS TONER, CHARGE,SURFACE AND CONTROL RETENTION ADDITIVES AND CARRIER XEROX CORPORATION (US) 1996-05-14 US claimed
US-5486445-A Toner and developer compositions with diblock compatibilizers XEROX CORPORATION (US) 1996-01-23 US claimed
EP-0658818-A1 Toner compositions with compatibilizer XEROX CORPORATION (US) 1995-06-21 EP claimed
US-5368970-A Toner compositions with compatibilizer XEROX CORPORATION (US) 1994-11-29 US claimed
US-4960665-A Toner and developer compositions containing additives with certain morphologies XEROX CORPORATION (US) 1990-10-02 US claimed
US-4912005-A Toner and developer compositions with conductive carrier components XEROX CORPORATION (US) 1990-03-27 US claimed
US-4891293-A Toner and developer compositions with thermotropic liquid crystalline polymers XEROX CORPORATION (US) 1990-01-02 US claimed
US-4883736-A Electrophotographic toner and developer compositions with polymeric alcohol waxes XEROX CORPORATION (US) 1989-11-28 US claimed
US-4837105-A Imaging process with prevention of toner spots XEROX CORPORATION (US) 1989-06-06 US claimed
US-4820604-A Toner and developer compositions with sulfur cotaining organopolysiloxane waxes XEROX CORPORATION (US) 1989-04-11 US claimed
EP-0276147-A2 Toner and developer compositions with long chain alcohol waxes XEROX CORPORATION (US) 1988-07-27 EP claimed
EP-0274858-A1 Toner compositions with inner salt charge enhancing additives XEROX CORPORATION (US) 1988-07-20 EP claimed
US-4752550-A Toner compositions with inner salt charge enhancing additives XEROX CORPORATION (US) 1988-06-21 US claimed
US-4681829-A Single component red developer compositions XEROX CORPORATION (US) 1987-07-21 US claimed