Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5205308

NCc1cccc(Oc2ccccc2N(Cc2ccccc2)C(=O)CCC(=O)NCc2cccc3ccccc23)c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.38
TSPO P30536 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
LOX P28300 2/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
SUCNR1 Q9BXA5 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
Trifluoroacetic Acid SCHEMBL5208616 0.97 TSPO (0.38) TPSAB1TSPOPSMB8PSMB5KMT2A
Trifluoroacetic Acid SCHEMBL5205606 0.97 TSPO (0.38) TSPOPSMB8PSMB5KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5202242 0.94 TPSAB1 (0.37) TPSAB1TSPOPSMB8PSMB5KMT2A
Trifluoroacetic Acid SCHEMBL5204913 0.94 SUCNR1 (0.39) TPSAB1TSPOKMT2AMEN1MAPK1
Trifluoroacetic Acid SCHEMBL5208348 0.94 RAB9A (0.37) TPSAB1PSMB8PSMB5KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5203534 0.93 KMT2A (0.37) TPSAB1PSMB8PSMB5KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5201616 0.93 TSPO (0.39) TSPOPSMB8PSMB5KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5207332 0.93 TPSAB1 (0.44) TPSAB1TSPOKMT2AMEN1MAPK1
Trifluoroacetic Acid SCHEMBL5201953 0.93 ALDH1A1 (0.39) TSPOPSMB8PSMB5KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5202498 0.91 EPHX2 (0.38) TPSAB1TSPOSUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed