SCHEMBL4668480

SCHEMBL4668480

COc1ccc(C(=NOS(=O)(=O)CCSCCCSCCS(=O)(=O)ON=C(c2ccc(OC)cc2)C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GRIN2B Q13224 1/20 0.32
HSD11B1 P28845 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL3423834 0.94 ALDH1A1 (0.32) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL3425641 0.94 HDAC3 (0.35) ALDH1A1GAACES1NPC1RAB9A
SCHEMBL12293161 0.85 RECQL (0.39) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL7246388 0.85 RECQL (0.39) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL3420948 0.84 KMT2A (0.39) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL14274503 0.84 KMT2A (0.39) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL3424090 0.83 ALDH1A1 (0.38) ALDH1A1GAASMN1; SMN2GRIN2BNPC1
SCHEMBL14839202 0.83 KMT2A (0.40) ALDH1A1GAASMN1; SMN2KMT2ANPC1
SCHEMBL547036 0.82 HDAC3 (0.38) MMP13
SCHEMBL547037 0.82 HDAC3 (0.38) MMP13

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-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-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