SCHEMBL238296

SCHEMBL238296

CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2C)c2ccc(N(CC)CC)cc2C)c(C)c1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.45
CNR1 P21554 9/20 0.44
PKM P14618 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
S100B P04271 1/20 0.41
POLB P06746 1/20 0.40
GRK2 P25098 1/20 0.40
DNMT1 P26358 1/20 0.40

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
SCHEMBL238297 0.90 CNR2 (0.45) CNR2CNR1PKMMEN1KMT2A
SCHEMBL81551 0.81 S100B (0.58) PKMMEN1KMT2AL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL237984 0.80 S100B (0.56) PKMMEN1KMT2AL3MBTL1MAPK1
SCHEMBL11596099 0.80 MAPT (0.48) PKMMEN1KMT2AL3MBTL1MAPK1
Oxalic Acid SCHEMBL238205 0.79 S100B (0.49) PKMMEN1KMT2AL3MBTL1MAPK1
SCHEMBL215745 0.79 S100B (0.49) CNR2CNR1PKMMEN1KMT2A
SCHEMBL29371256 0.79 S100B (0.49) CNR2CNR1PKMMEN1KMT2A
Hydrochloric Acid SCHEMBL6373886 0.78 S100B (0.55) PKMMEN1KMT2AL3MBTL1MAPK1
SCHEMBL13897298 0.77 S100B (0.47) CNR2CNR1PKMMEN1KMT2A
SCHEMBL19428162 0.77 THRB (0.49) CNR2CNR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2541322-B1 Composition, process of preparation and method of application and exposure for light imaging paper INT PAPER CO (US) 2015-08-12 EP disclosed
EP-2899592-A1 Coated substrate comprising a dual wavelength image-forming particulate composition and a process for making said composition INTERNATIONAL PAPER COMPANY (US) 2015-07-29 EP disclosed
US-20150185608-A1 IMAGING PARTICULATES, PAPER AND PROCESS, AND IMAGING OF PAPER USING DUAL WAVELENGTH LIGHT INTERNATIONAL PAPER COMPANY 2015-07-02 US disclosed
US-8980523-B2 Imaging particulates, paper and process, and imaging of paper using dual wavelength light INTERNATIONAL PAPER COMPANY (US) 2015-03-17 US disclosed
EP-2340463-B1 IMAGING PARTICULATE COMPOSITION AND IMAGING PROCESS USING DUAL WAVELENGTH LIGHT INT PAPER CO (US) 2014-12-17 EP disclosed
US-20140080044-A1 Imaging Particulates, Paper and Process, and Imaging of Paper Using Dual Wavelength Light INTERNATIONAL PAPER COMAPNY (US) 2014-03-20 US disclosed
US-20140080057-A1 Composition, process of preparation and method of application and exposure for light imaging paper INTERNATIONAL PAPER COMAPNY (US) 2014-03-20 US disclosed
US-8586279-B2 Imaging particulates, paper and process, and imaging of paper using dual wavelength light INTERNATIONAL PAPER COMPANY (US) 2013-11-19 US disclosed
US-8586280-B2 Composition, process of preparation and method of application and exposure for light imaging paper INTERNATIONAL PAPER COMPANY (US) 2013-11-19 US disclosed
EP-2541322-A1 Composition, process of preparation and method of application and exposure for light imaging paper INTERNATIONAL PAPER COMPANY (US) 2013-01-02 EP disclosed
US-4622286-A Photoimaging composition containing admixture of leuco dye and 2,4,5-triphenylimidazolyl dimer E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-11-11 US disclosed
EP-0066870-B1 PHOTOIMAGING COMPOSITIONS CONTAINING SUBSTITUTED CYCLOHEXADIENONE COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-21 EP disclosed
EP-0024629-B1 PHOTOIMAGING COMPOSITION COMPRISING A 2,4,5-TRIPHENYLIMIDAZOLYL DIMER AND AT LEAST ONE COMPOUND SELECTED FROM THE GROUP CONSISTING OF A LEUCO DYE AND A POLYMERIZABLE ETHYLENICALLY UNSATURATED MONOMER E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-01-04 EP disclosed
EP-0066870-A2 Photoimaging compositions containing substituted cyclohexadienone compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-12-15 EP disclosed
US-4341860-A A P-DI-OR TRICHLOROCYCLOHEXADIENONE OXIDIZER AND A LEUCO DYE OR UNSATURATED MONOMER; PHOTORESISTS; PHOTOPRINTOUT ELEMENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-27 US disclosed
EP-0046271-A1 Photosensitive compositions and elements containing substituted hydroxylamine E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-24 EP disclosed
US-4311783-A Dimers derived from unsymmetrical 2,4,5,-triphenylimidazole compounds as photoinitiators E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-19 US disclosed
US-4298678-A PHOTOOXIDANT AND LEUCO DYE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-11-03 US disclosed
EP-0024629-A2 Photoimaging composition comprising a 2,4,5-triphenylimidazolyl dimer and at least one compound selected from the group consisting of a leuco dye and a polymerizable ethylenically unsaturated monomer E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-11 EP disclosed
US-4252887-A HIGH SPEED IMAGING; PHOTOSENSITIVE TO LONGER WAVELENGTHS; USED WITH PHOTOPOLYMERIZABLE OLEFIN; OVERLAY FILMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-24 US disclosed