SCHEMBL3420945

SCHEMBL3420945

COCCS(=O)(=O)O.COc1ccc(/C(=N/O)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GRIN2B Q13224 1/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CTBP2 P56545 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL3420951 1.00 ALDH1A1 (0.41) ALDH1A1HSD17B10GAAALOX15SMN1; SMN2
SCHEMBL3425949 0.93 ALDH1A1 (0.38) ALDH1A1HSD17B10GAAALOX15SMN1; SMN2
SCHEMBL3425946 0.93 ALDH1A1 (0.38) ALDH1A1HSD17B10GAAALOX15SMN1; SMN2
SCHEMBL3428070 0.88 ALDH1A1 (0.42) ALDH1A1HSD17B10GAAALOX15SMN1; SMN2
SCHEMBL3428067 0.88 ALDH1A1 (0.42) ALDH1A1HSD17B10GAAALOX15SMN1; SMN2
SCHEMBL3425855 0.87 SMN1; SMN2 (0.42) ALDH1A1HSD17B10GAAALOX15SMN1; SMN2
SCHEMBL3425858 0.87 SMN1; SMN2 (0.42) ALDH1A1HSD17B10GAAALOX15SMN1; SMN2
SCHEMBL3424093 0.82 ALDH1A1 (0.38) ALDH1A1HSD17B10GAAALOX15SMN1; SMN2
SCHEMBL3424085 0.82 ALDH1A1 (0.38) ALDH1A1HSD17B10GAAALOX15SMN1; SMN2
SCHEMBL4665190 0.82 ALDH1A1 (0.58) ALDH1A1HSD17B10GAAALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472576-B1 SULFONATE DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2013-04-24 EP disclosed
US-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
US-20080286693-A1 Sulfonate derivatives and the use thereof as latent acids MATSUMOTO AKIRA 2008-11-20 US disclosed
US-7326511-B2 Sulfonate derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-05 US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 US disclosed
EP-1779104-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE Ciba SC Holding AG (CH) 2007-05-02 EP disclosed
WO-2006015962-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-02-16 WO disclosed
US-20050153244-A1 Sulfonate derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORP. 2005-07-14 US disclosed