SCHEMBL6850422

SCHEMBL6850422

CCCCN(CCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CNR2 P34972 2/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
OPRK1 P41145 1/20 0.42
MAPT P10636 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
NR1I2 O75469 1/20 0.41
ELANE P08246 1/20 0.40
LTA4H P09960 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
SCHEMBL6302960 0.94 ESR1 (0.48) ESR1MEN1KMT2AHPGDGFER
SCHEMBL7644045 0.88 HSP90AA1 (0.40) ESR1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL9324828 0.88 CNR2 (0.49) ESR1MEN1KMT2AHPGDGFER
SCHEMBL6850621 0.85 TSHR (0.47) ESR1MEN1KMT2AHPGDGFER
SCHEMBL9347243 0.84 LTA4H (0.38) ESR1MEN1KMT2AHPGDGFER
SCHEMBL107013 0.82 CNR2 (0.49) ESR1MEN1KMT2AHPGDGFER
SCHEMBL242391 0.82 KMT2A (0.46) MEN1KMT2AHPGDGFERCNR2
SCHEMBL10794576 0.81 ALDH1A1 (0.39) MEN1KMT2AHPGDGFERNPSR1
SCHEMBL5523437 0.81 KMT2A (0.45) MEN1KMT2AHPGDGFERCNR2
SCHEMBL30848429 0.81 KMT2A (0.45) ESR1MEN1KMT2AHPGDGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779356-B Printing ink 富士胶片株式会社 2021-07-02 CN disclosed
US-10544318-B2 Inks FUJIFILM CORPORATION (JP) 2020-01-28 US disclosed
EP-3430097-B1 INKS FUJIFILM CORP (JP) 2019-10-30 EP disclosed
EP-3430097-A1 INKS FUJIFILM Corporation (JP) 2019-01-23 EP disclosed
US-20190016910-A1 INKS FUJIFILM CORPORATION (JP) 2019-01-17 US disclosed
CN-108779356-A ink 富士胶片株式会社 2018-11-09 CN disclosed
WO-2018198887-A1 INKS FUJIFILM CORPORATION (JP) 2018-11-01 WO disclosed
WO-2017159551-A1 INKS FUJIFILM CORPORATION (JP) 2017-09-21 WO disclosed
CN-100462487-C Protein fiber spinning dope and its preparing method GUANQI LI (CN) 2009-02-18 CN disclosed
CN-1814870-A Protein fiber spinning dope and its preparing method LI GUANQI (CN) 2006-08-09 CN disclosed
US-6780229-B2 COMPOSITION COMPRISING COLORANT, SULFANILIC ACID DERIVATIVE, ORGANIC SOLVENT, HYDROTROPIC AGENT, BIOCIDE, SURFACTANT AND WATER; INK JET PRINTING INK AVECIA LIMITED (GB) 2004-08-24 US disclosed
EP-1263899-B1 INKS AVECIA LTD (GB) 2003-12-17 EP disclosed
US-20030116058-A1 Inks AVECIA INKJET LIMITED (GB) 2003-06-26 US disclosed
EP-1263899-A2 INKS Avecia Limited (GB) 2002-12-11 EP disclosed
WO-2001062859-A2 INKS AVECIA LIMITED (GB) 2001-08-30 WO disclosed
EP-0130711-B1 AQUEOUS SOLUTIONS OF REACTIVE DYES ICI AMERICAS INC. (US) 1987-02-11 EP disclosed
EP-0130711-A2 Aqueous solutions of reactive dyes ICI AMERICAS INC. (US) 1985-01-09 EP disclosed
US-4472168-A STORAGE STABILITY BUFFERED SOLUTIONS ICI AMERICAS INC. (US) 1984-09-18 US disclosed