Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6408587

O=C(Cc1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccccc2C1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.46
FNTB P49356 14/20 0.46
KMT2A Q03164 2/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL3499472 0.94 FNTA (0.49) FNTAFNTBKMT2ACACNA1GCACNA1H
Trifluoroacetic Acid SCHEMBL5583305 0.85 FNTA (0.42) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL2364392 0.80 FNTA (0.68) FNTAFNTB
SCHEMBL3499648 0.80 FNTA (0.70) FNTAFNTBKMT2ACACNA1GCACNA1H
SCHEMBL6408581 0.79 KMT2A (0.36) FNTAFNTBKMT2AMEN1
SCHEMBL3499471 0.78 FNTA (0.44) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL3500085 0.78 FNTA (0.45) FNTAFNTBCACNA1GCACNA1HCACNA1I
Trifluoroacetic Acid SCHEMBL6275786 0.78 FNTA (0.61) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL3499537 0.76 FNTA (0.49) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL3499620 0.75 CACNA1G (0.47) FNTAFNTBCACNA1GCACNA1HCACNA1I

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed