Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL6584038

COc1ccc2c(C(=O)Oc3c(F)ccc(F)c3F)c3ccccc3nc2c1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
DYRK3 O43781 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MAPT P10636 5/20 0.37
TP53 P04637 3/20 0.37
THRB P10828 1/20 0.37
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
NQO2 P16083 1/20 0.36
TACR3 P29371 3/20 0.36

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
SCHEMBL6584034 0.92 GRM2 (0.45) GRM2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL7796549 0.86 GRM2 (0.45) GRM2MAPTTP53THRBKDM4E
SCHEMBL7787062 0.84 DYRK1A (0.51) GRM2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL6584043 0.82 GRM2 (0.34) GRM2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL7793772 0.80 DHODH (0.45) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL6584296 0.80 KMT2A (0.40) GRM2MAPTKDM4EMEN1KMT2A
SCHEMBL7590460 0.80 DYRK1A (0.41) GRM2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL8741771 0.78 DYRK3 (0.48) GRM2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL8741772 0.77 TP53 (0.47) GRM2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL7020881 0.77 MAPT (0.51) MAPTTP53THRBKDM1AKDM4E

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