SCHEMBL4130568

SCHEMBL4130568

Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.OCCOCCN1C=CC(c2c3nc(c(C4=CCN(CCOCCO)C=C4)c4ccc([nH]4)c(C4=CCN(CCOCCO)C=C4)c4nc(c(C5=CCN(CCOCCO)C=C5)c5ccc2[nH]5)C=C4)C=C3)=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 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
TERT O14746 1/20 0.41
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL4141606 0.95 ENPP2 (0.41) ENPP2TERTCYP2D6KDM4EALDH1A1
SCHEMBL4145137 0.89 ENPP2 (0.46) ENPP2TERTCYP2D6KDM4EALDH1A1
SCHEMBL4147314 0.87 ENPP2 (0.49) ENPP2TERTCYP2D6KDM4EALDH1A1
SCHEMBL3083109 0.87 TERT (0.37) ENPP2TERT
SCHEMBL6515386 0.82 ENPP2 (0.52) ENPP2TERTCYP2D6KDM4EALDH1A1
SCHEMBL4141501 0.82 ENPP2 (0.52) ENPP2TERTCYP2D6KDM4EALDH1A1
SCHEMBL29965184 0.82 ENPP2 (0.52) ENPP2TERTCYP2D6KDM4EALDH1A1
SCHEMBL4134381 0.82 ENPP2 (0.46) ENPP2TERTCYP2D6KDM4EALDH1A1
SCHEMBL3081613 0.81 TERT (0.36) ENPP2TERT
SCHEMBL3089988 0.77 TERT (0.41) ENPP2TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541633-A Ink jet printing of concealed images on carbonless paper XEROX CORPORATION (US) 1996-07-30 US claimed
US-5286286-A Containing diethylene glycol monobutyl ether, glycerol, and a dansyl or porphyrin chromophores XEROX CORPORATION (US) 1994-02-15 US claimed
US-5256193-A Porphyrin chromophore and dendrimer ink composition XEROX CORPORATION (US) 1993-10-26 US claimed
US-20090008452-A1 PRODUCT PACKAGING INCLUDING DIGITAL DATA VERIFICATION TECHNOLOGIES, INC. (US) 2009-01-08 US disclosed
US-20080011853-A1 Product Packaging Including Digital Data VERIFICATION TECHNOLOGIES, INC. (US) 2008-01-17 US disclosed
US-7237720-B2 Product packaging including digital data VERIFICATION TECHNOLOGIES, INC. (US) 2007-07-03 US disclosed
US-20070001011-A1 Product packaging including digital data VERIFICATION TECHNOLOGIES, INC. (US) 2007-01-04 US disclosed
US-7124944-B2 Product packaging including digital data VERIFICATION TECHNOLOGIES, INC. (US) 2006-10-24 US disclosed
EP-1200932-B1 AUTHENTICATION DEVICE AND METHOD OF AUTHENTICATING PRODUCTS OR PRODUCT PACKAGING SUN CHEMICAL BV (NL) 2006-09-13 EP disclosed
US-7079230-B1 Portable authentication device and method of authenticating products or product packaging SUN CHEMICAL B.V. (NL) 2006-07-18 US disclosed
US-20050243305-A1 Tamper-resistant authentication mark for use in product or product packaging authentication VIG RAKESH 2005-11-03 US disclosed
US-20050153128-A1 Product packaging including digital data SELINFREUND RICHARD H (US) 2005-07-14 US disclosed
US-20040023397-A1 Tamper-resistant authentication mark for use in product or product packaging authentication VERIFICATION TECHNOLOGIES, INC. 2004-02-05 US disclosed
US-20040000787-A1 Authentication mark for a product or product package SUN CHEMICAL B.V. (AN) 2004-01-01 US disclosed
US-20030112423-A1 On-line verification of an authentication mark applied to products or product packaging VERIFICATION TECHNOLOGIES, INC. 2003-06-19 US disclosed
US-20030047610-A1 Product packaging including digital data SPENCER TRASK 2003-03-13 US disclosed
US-5541633-A Ink jet printing of concealed images on carbonless paper XEROX CORPORATION (US) 1996-07-30 US disclosed
US-5286286-A Containing diethylene glycol monobutyl ether, glycerol, and a dansyl or porphyrin chromophores XEROX CORPORATION (US) 1994-02-15 US disclosed
US-5256193-A Porphyrin chromophore and dendrimer ink composition XEROX CORPORATION (US) 1993-10-26 US disclosed