SCHEMBL6584043

SCHEMBL6584043

COc1cc(OS(=O)(=O)C(F)(F)F)c2c(C(=O)Oc3c(F)ccc(F)c3F)c3ccccc3nc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
POLB P06746 5/20 0.33
MAPT P10636 4/20 0.33
TP53 P04637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DYRK3 O43781 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.32
IGF1R P08069 1/20 0.31

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
Trifluoromethanesulfonic Acid SCHEMBL6584038 0.82 GRM2 (0.40) GRM2POLBMAPTTP53KDM4E
SCHEMBL8333267 0.79 RAB9A (0.41) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL6584034 0.79 GRM2 (0.45) GRM2POLBMAPTTP53KDM4E
SCHEMBL7796549 0.77 GRM2 (0.45) GRM2POLBMAPTTP53KDM4E
SCHEMBL7590460 0.77 DYRK1A (0.41) GRM2POLBMAPTKDM4ETHRB
SCHEMBL6584296 0.75 KMT2A (0.40) GRM2POLBMAPTKDM4EMEN1
SCHEMBL7047027 0.71 MAPT (0.40) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL7793772 0.71 DHODH (0.45) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL8686701 0.71 DHODH (0.40) GRM2MAPTKDM4EMEN1KMT2A
SCHEMBL7787062 0.71 DYRK1A (0.51) GRM2POLBMAPTTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778947-B1 CHEMILUMINESCENT DETECTION OF HYDROLYTIC ENZYMES USING AN ACRIDAN LUMIGEN INC (US) 2004-05-12 EP disclosed
US-5686258-A Chemiluminescent detection of hydrolytic enzymes using an acridan LUMIGEN, INC. (US) 1997-11-11 US disclosed