SCHEMBL2534752

SCHEMBL2534752

C[N+]1(CCN=C=NC2CCCCC2)CCOCC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.84

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 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.84
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TERT O14746 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6533548 0.91 CYP2C9 (1.00) CYP2C9CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL3422484 0.86 CYP2C9 (0.89) CYP2C9CYP1A2ALDH1A1
SCHEMBL9332771 0.82 CYP2C9 (0.56) CYP2C9CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL3459786 0.82 CYP1A2 (0.65) CYP2C9CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL729006 0.82 CYP2C9 (0.68) CYP2C9CYP1A2ALDH1A1
SCHEMBL475390 0.77 CYP2C9 (0.52) CYP2C9CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL31097886 0.77 CYP2C9 (0.51) CYP2C9CYP1A2ALDH1A1MEN1KMT2A
P-Xylene SCHEMBL3752326 0.76 CYP1A2 (0.70) CYP2C9CYP1A2ALDH1A1TSHR
SCHEMBL475391 0.74 CYP2C9 (0.49) CYP2C9CYP1A2ALDH1A1LMNACYP2D6
SCHEMBL7799784 0.74 CYP2C9 (0.51) CYP2C9CYP1A2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013679-A REACTING HYALURONIC ACID, OR A SALT, WITH A CARBODIIMIDE TO FORM A WATER INSOLUBLE GEL IN THE ABSENCE OF A NUCLEOPHILE AND A POLYANIONIC POLYSACCHRIDE, DRYING, COMPRESSING TO FORM WATER INSOLUBLE, BIOCOMPATIBLE GEL ANIKA RESEARCH, INC. (US) 2000-01-11 US claimed
EP-0611774-B1 Production of amides and peptides without racemization in the presence of catalytic amounts of a N-hydroxy-compound HOFFMANN LA ROCHE (CH) 1999-05-26 EP claimed
US-5750649-A REACTING ACID AND AMINE IN PRESENCE OF CARBODIIMIDE DEHYDRATING AGENT AND N-HYDROXY COMPOUND; PEPTIDES HOFFMANN-LA ROCHE INC. (US) 1998-05-12 US claimed
US-5502081-A COMPOSITIONS FOR SURGICAL AIDS FORMED FROM REACTION OF CARBODIIMIDE WITH HYALURONIC ACID RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-03-26 US claimed
EP-0611774-A1 Production of amides and peptides without racemization in the presence of catalytic amounts of a N-hydroxy-compound F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 EP claimed
WO-1994002517-A1 WATER-INSOLUBLE DERIVATIVES OF HYALURONIC ACID AND THEIR METHODS OF PREPARATION AND USE ANIKA RESEARCH, INC. (US) 1994-02-03 WO claimed
WO-2024110843-A1 ENHANCING OLIGONUCLEOTIDE IMMUNOMODULATORY ACTIVITY THROUGH DIANOPHORE LONG-LASTING MODIFICATION: METHODS AND APPLICATIONS SEGENA CORPORATION S.A. (UY) 2024-05-30 WO disclosed
US-11664504-B2 Hematin modified bilirubin oxidase cathode CFD RESEARCH CORPORATION (US) 2023-05-30 US disclosed
US-20210384520-A1 HEMATIN MODIFIED BILIRUBIN OXIDASE CATHODE CFD RESEARCH CORPORATION 2021-12-09 US disclosed
US-11127966-B2 Hematin modified bilirubin oxidase cathode CFD RESEARCH CORPORATION (US) 2021-09-21 US disclosed
US-9950931-B2 Cross-linked graphene networks THE BIO NANO CENTRE LIMITED (GB) 2018-04-24 US disclosed
EP-2822893-B1 CROSS-LINKED GRAPHENE NETWORKS THE BIO NANO CENTRE LTD (GB) 2017-12-27 EP disclosed
US-9643149-B2 Cross-linked carbon nanotube networks THE BIO NANO CENTRE LIMITED (GB) 2017-05-09 US disclosed
EP-0314862-A1 Immunogenic conjugates comprising cyclosporins SANDOZ AG (CH) 1989-05-10 EP disclosed
US-4798840-A Coronary-active fluorine-containing 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed
EP-0290762-A1 Cyclosporins SANDOZ AG (CH) 1988-11-17 EP disclosed
EP-0288758-A2 Dihydropyridinamides, process for their preparation and their use in medicines BAYER AG (DE) 1988-11-02 EP disclosed
US-4556637-A ENZYME BOUND TO A CROSSLINKED ACRYLIC POLYMER ACTIVATED BY A CARBODIIMIDE REANAL FINOMVEGYSZERGYAR (HU) 1985-12-03 US disclosed
EP-0089290-A1 Conjugates of haptenes and muramyl peptides having an immunogenic activity, and compositions containing them ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1983-09-21 EP disclosed
US-4132746-A Synthetic elastomeric insoluble cross-linked polypentapeptide UNIVERSITY OF ALABAMA, BIRMINGHAM MEDICAL & EDUCATION FOUNDATION (US) 1979-01-02 US disclosed