Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8438656

O=C(N=CN1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.35
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ATM Q13315 1/20 0.33
KMT2A Q03164 1/20 0.33
MCHR1 Q99705 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
Trifluoromethanesulfonic Acid SCHEMBL8576424 0.98 DPP8 (0.35) CCR5RECQLTDP1DPP8DPP9
Trifluoromethanesulfonic Acid SCHEMBL8440244 0.91 CCR5 (0.34) CCR5RECQLATM
SCHEMBL8440852 0.91 RECQL (0.37) RECQLTDP1DPP8DPP9KMT2A
Trifluoromethanesulfonic Acid SCHEMBL8541838 0.90 PDK1 (0.35) CCR5RECQLDPP8DPP9PDK1
Trifluoromethanesulfonic Acid SCHEMBL8539389 0.90 PDK1 (0.36) CCR5TDP1PDK1PDK2PDK3
Trifluoromethanesulfonic Acid SCHEMBL8438307 0.90 PDK1 (0.36) CCR5TDP1PDK1PDK2PDK3
Trifluoromethanesulfonic Acid SCHEMBL8436309 0.89 KMT2A (0.36) TDP1DPP8DPP9KMT2AMCHR1
Trifluoromethanesulfonic Acid SCHEMBL8435836 0.88 CCR5 (0.36) CCR5DPP8DPP9PDK1PDK2
Trifluoromethanesulfonic Acid SCHEMBL9125753 0.87 CCR5 (0.39) CCR5DPP8DPP9PDK1PDK2
Trifluoromethanesulfonic Acid SCHEMBL8537325 0.87 CCR5 (0.37) CCR5DPP8DPP9

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed