Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL2485159

Cc1ccc2nc(NC(=O)c3ccc([S+](c4ccccc4)c4ccccc4)cc3)sc2c1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.59
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 3/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
RXFP1 Q9HBX9 2/20 0.52
LRRK2 Q5S007 2/20 0.52
HTT P42858 2/20 0.52
OPRK1 P41145 1/20 0.52
KLK7 P49862 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DYRK1A Q13627 1/20 0.51
ACP1 P24666 1/20 0.50

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
SCHEMBL2479429 0.91 NPC1 (0.60) MAP3K5RAB9ANPC1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL2482555 0.91 MAP3K5 (0.61) MAP3K5RAB9ANPC1KMT2AKDM4E
SCHEMBL12199516 0.90 MAP3K5 (0.68) MAP3K5RAB9ANPC1KMT2AKDM4E
Trifluoromethanesulfonic Acid SCHEMBL403207 0.88 SCD (0.67) RAB9ANPC1KMT2AKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL2485817 0.83 SMN1; SMN2 (0.60) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL2482852 0.82 SCD (0.66) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL5713530 0.81 MAP3K5 (0.75) MAP3K5RAB9ANPC1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL2483587 0.79 SCD (0.70) RAB9ANPC1KMT2AMEN1
SCHEMBL13329390 0.78 MAP3K5 (0.83) MAP3K5RAB9ANPC1KMT2AKDM4E
SCHEMBL2483973 0.78 MAPT (0.59) RAB9ANPC1KMT2AKDM4EALDH1A1

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-2376463-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed