Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL9016873

Cn1ccnc1C(=O)c1nccn1C.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
RAB9A P51151 1/20 0.40
LDHA P00338 4/20 0.38
LDHB P07195 4/20 0.38
NAMPT P43490 1/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CCR9 P51686 1/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
MCL1 Q07820 1/20 0.33
LPO P22079 1/20 0.33

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
SCHEMBL5604635 0.84 TSHR (0.49) SMN1; SMN2HTTALDH1A1TSHRRAB9A
Bromide SCHEMBL7373319 0.82 RAB9A (0.48) SMN1; SMN2HTTALDH1A1TSHRRAB9A
Trifluoromethanesulfonic Acid SCHEMBL1682013 0.79 ALDH1A1 (0.37) ALDH1A1TSHRKMT2AKDM4EPOLB
Trifluoromethanesulfonic Acid SCHEMBL893029 0.75 FDPS (0.45) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL30831127 0.75 NAMPT (0.42) SMN1; SMN2HTTALDH1A1TSHRRAB9A
Trifluoromethanesulfonic Acid SCHEMBL7896614 0.75 JMJD6 (0.44) ALDH1A1TSHRRAB9AKMT2ALMNA
Trifluoromethanesulfonic Acid SCHEMBL27778942 0.74 KDM4E (0.43) SMN1; SMN2ALDH1A1TSHRKMT2ALMNA
Trifluoromethanesulfonic Acid SCHEMBL28615004 0.74 KMT2A (0.45) SMN1; SMN2ALDH1A1TSHRLDHALDHB
Trifluoromethanesulfonic Acid SCHEMBL16700993 0.73 FDPS (0.43) SMN1; SMN2HTTTSHRNAMPTKMT2A
Trifluoromethanesulfonic Acid SCHEMBL28186536 0.73 KMT2A (0.46) ALDH1A1TSHRRAB9AKMT2AMEN1

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-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 WO disclosed