SCHEMBL3304737

SCHEMBL3304737

COc1ccc(N=Nc2cccc(S(=O)(=O)O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.54
POLB P06746 2/20 0.51
CYP2D6 P10635 1/20 0.51
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
GLO1 Q04760 1/20 0.50
SENP3 Q9H4L4 2/20 0.49
SENP2 Q9HC62 2/20 0.49
SENP1 Q9P0U3 2/20 0.49
SUMO2 P61956 1/20 0.49
SUMO1 P63165 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL3304735 1.00 PTGS2 (0.54) PTGS2POLBCYP2D6CA12CA2
SCHEMBL14022705 0.90 PHLPP2 (0.57) PTGS2POLBCYP2D6CA12CA2
SCHEMBL3306473 0.84 PTGS2 (0.69) PTGS2POLBCYP2D6CA12CA2
SCHEMBL3306476 0.84 PTGS2 (0.69) PTGS2POLBCYP2D6CA12CA2
SCHEMBL14022704 0.84 PTGS2 (0.69) PTGS2POLBCYP2D6CA12CA2
SCHEMBL4598070 0.84 POLB (0.72) PTGS2POLBCYP2D6CA12CA2
SCHEMBL4598066 0.84 POLB (0.72) PTGS2POLBCYP2D6CA12CA2
SCHEMBL9017465 0.84 SENP3 (0.52) POLBCA12CA2CA9GLO1
SCHEMBL9017464 0.84 SENP3 (0.52) POLBCA12CA2CA9GLO1
SCHEMBL3308193 0.83 SENP3 (0.62) POLBCYP2D6CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868873-B2 Photochromic security enabled ink for digital offset printing applications XEROX CORPORATION (US) 2018-01-16 US disclosed
US-9404001-B2 Photochromic latex ink XEROX CORPORATION (US) 2016-08-02 US disclosed
US-20150153479-A1 PHOTOCHROMIC LATEX INK XEROX CORPORATION (US) 2015-06-04 US disclosed
US-20130305947-A1 PHOTOCHROMIC SECURITY ENABLED INK FOR DIGITAL OFFSET PRINTING APPLICATIONS XEROX CORPORATION (US) 2013-11-21 US disclosed
US-7708396-B2 Photochromic phase change inks XEROX CORPORATION (US) 2010-05-04 US disclosed
US-20070211124-A1 PHOTOCHROMIC PHASE CHANGE INKS XEROX CORPORATION (US) 2007-09-13 US disclosed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed