SCHEMBL3975249

SCHEMBL3975249

O=S(=O)(O)CCCNc1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
F2 P00734 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
TMPRSS6 Q8IU80 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36
APP P05067 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
KDM4E B2RXH2 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
Water SCHEMBL20853620 0.82 ALDH1A1 (0.55) PRSS1ALDH1A1MAPTCA1CA2
SCHEMBL246721 0.81 ALDH1A1 (0.59) PRSS1ALDH1A1MAPTF2PRSS2
SCHEMBL66571 0.80 ALDH1A1 (0.36) PRSS1ALDH1A1MAPTCYP2D6CA1
SCHEMBL917966 0.80 MEN1 (0.44) PRSS1ALDH1A1F2PRSS2PRSS3
SCHEMBL1333377 0.80 ALDH1A1 (0.57) PRSS1ALDH1A1MAPTF2PRSS2
SCHEMBL917583 0.80 ALDH1A1 (0.46) PRSS1ALDH1A1MAPTF2PRSS2
SCHEMBL917777 0.79 CYP2D6 (0.51) PRSS1ALDH1A1MAPTF2PRSS2
SCHEMBL9852004 0.79 MAPT (0.55) PRSS1ALDH1A1MAPTF2PRSS2
SCHEMBL917421 0.79 FDPS (0.41) PRSS1ALDH1A1MAPTF2PRSS2
SCHEMBL5524297 0.79 ALDH1A1 (0.55) PRSS1ALDH1A1MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105315794-B Ink group 精工爱普生株式会社 2019-06-28 CN disclosed
CN-105585903-B Printing ink composition 精工爱普生株式会社 2018-11-09 CN disclosed
CN-104011142-B There is the compound of ton skeleton, coloured composition, ink for ink-jet recording and ink jet recording method 富士胶片株式会社 2016-11-16 CN disclosed
CN-105585903-A Ink composition SEIKO EPSON CORP 2016-05-18 CN disclosed
CN-105315794-A Ink set SEIKO EPSON CORP 2016-02-10 CN disclosed
CN-103917607-A Coloring composition and ink for inkjet recording FUJIFILM CORP 2014-07-09 CN disclosed
CN-102093775-B Water-based ink set for ink jet recording, ink cartridge, and ink-jet recording apparatus BROTHER IND LTD 2013-09-25 CN disclosed
CN-102093775-A Water-based ink set for ink jet recording, ink cartridge, and ink-jet recording apparatus BROTHER IND LTD 2011-06-15 CN disclosed
CN-102079896-A Water-based ink for ink-jet recording, ink cartridge, and ink-jet recording apparatus BROTHER IND LTD 2011-06-01 CN disclosed
EP-1668085-A4 INK FOR INKJET PRINTING, INK SET FOR INKJET PRINTING, INKJET RECORDING MATERIAL AND PRODUCING METHOD FOR INKJET RECORDING MATERIAL, AND INKJET RECORDING METHOD. FUJIFILM CORP (JP) 2009-05-06 EP disclosed
EP-1668085-A1 INK FOR INKJET PRINTING, INK SET FOR INKJET PRINTING, INKJET RECORDING MATERIAL AND PRODUCING METHOD FOR INKJET RECORDING MATERIAL, AND INKJET RECORDING METHOD. FUJI PHOTO FILM CO., LTD. (JP) 2006-06-14 EP disclosed
WO-2005030888-A1 INK FOR INKJET PRINTING, INK SET FOR INKJET PRINTING, INKJET RECORDING MATERIAL AND PRODUCING METHOD FOR INKJET RECORDING MATERIAL, AND INKJET RECORDING METHOD. FUJI PHOTO FILM CO., LTD. (JP) 2005-04-07 WO disclosed