Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2479571

CCOCOc1ccc2nc(NC(=O)c3ccc([S+](c4ccccc4)c4ccccc4)cc3)sc2c1.O=C([O-])C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
MAPT P10636 4/20 0.61
TP53 P04637 2/20 0.61
SCD O00767 11/20 0.56
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
KMT2A Q03164 6/20 0.51
PKM P14618 1/20 0.51
OPRK1 P41145 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
LRRK2 Q5S007 1/20 0.49
USP2 O75604 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL12199473 0.93 SMN1; SMN2 (0.70) SMN1; SMN2MAPTTP53SCDNPC1
Trifluoromethanesulfonic Acid SCHEMBL2485817 0.92 SMN1; SMN2 (0.60) SMN1; SMN2MAPTTP53SCDNPC1
Trifluoroacetic Acid SCHEMBL2483587 0.87 SCD (0.70) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL2483973 0.87 MAPT (0.59) SMN1; SMN2MAPTTP53SCDNPC1
Trifluoroacetic Acid SCHEMBL2482555 0.83 MAP3K5 (0.61) SMN1; SMN2MAPTTP53SCDNPC1
SCHEMBL12199452 0.81 SMN1; SMN2 (0.70) SMN1; SMN2MAPTTP53SCDNPC1
Bromide SCHEMBL2483413 0.81 SMN1; SMN2 (0.69) SMN1; SMN2MAPTTP53SCDNPC1
SCHEMBL2484653 0.80 SCD (0.81) SCDNPC1RAB9AKMT2AMEN1
Trifluoromethanesulfonic Acid SCHEMBL403207 0.79 SCD (0.67) MAPTSCDNPC1RAB9AKMT2A
SCHEMBL3347093 0.78 SMN1; SMN2 (0.67) SMN1; SMN2MAPTTP53SCDNPC1

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