SCHEMBL2222266

SCHEMBL2222266

O=S(=O)(O)c1cc(Nc2nc(Cl)nc(N3CCOCC3)n2)ccc1C=Cc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1S(=O)(=O)O.[Na].[Na]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
CA12 O43570 6/20 0.51
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA9 Q16790 6/20 0.51
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 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
SCHEMBL14391125 0.99 SMN1; SMN2 (0.53) PTGS2SMN1; SMN2TSHRCA12CA1
SCHEMBL2202879 0.99 SMN1; SMN2 (0.53) PTGS2SMN1; SMN2TSHRCA12CA1
SCHEMBL11728864 0.98 PTGS2 (0.52) PTGS2SMN1; SMN2TSHRCA12CA1
SCHEMBL3927919 0.98 PTGS2 (0.52) PTGS2SMN1; SMN2TSHRCA12CA1
SCHEMBL14391122 0.94 CA12 (0.56) PTGS2SMN1; SMN2TSHRCA12CA1
SCHEMBL2221311 0.93 CA12 (0.58) PTGS2SMN1; SMN2TSHRCA12CA1
SCHEMBL2203214 0.92 CA12 (0.57) PTGS2SMN1; SMN2TSHRCA12CA1
SCHEMBL2220185 0.90 USP2 (0.47) PTGS2SMN1; SMN2TSHRCA12CA1
SCHEMBL2206035 0.90 CA12 (0.58) PTGS2SMN1; SMN2TSHRCA12CA1
SCHEMBL17328820 0.89 HSD17B10 (0.48) PTGS2SMN1; SMN2TSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2722190-A1 Optimized undercoat for thermal recording material Ricoh Industrie France SAS (FR) 2014-04-23 EP disclosed
US-8546300-B2 Thermosensitive recording material and image recording method RICOH COMPANY, LTD. (JP) 2013-10-01 US disclosed
US-20110177941-A1 THERMOSENSITIVE RECORDING MATERIAL AND IMAGE RECORDING METHOD RICOH COMPANY, LTD. (JP) 2011-07-21 US disclosed
US-7585333-B2 Fluorescent whitening agent, for whitening synthetic or natural organic materials, especially paper and for the fluorescent whitening and improvement of sun protection factors of textile materials CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-09-08 US disclosed
US-20080307585-A1 Fluorescent whitening agent, for whitening synthetic or natural organic materials, especially paper and for the fluorescent whitening and improvement of sun protection factors of textile materials CIBA SPECIALTY CHEMICALS CORP. 2008-12-18 US disclosed
EP-1718725-B1 TRIAZINYLAMINOSTILBENE DISULPHONIC ACID MIXTURES CIBA HOLDING INC (CH) 2008-05-14 EP disclosed