Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5202523

CC(=O)Nc1cccc(-c2ccc(CN(C(=O)CCC(=O)NC3CCc4ccccc43)c3ccccc3Oc3cccc(CN)c3)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 4/20 0.38
SLC2A1 P11166 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MME P08473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTR5A P47898 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33

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 SCHEMBL5208207 0.94 HCRTR1 (0.37) CFDMEN1KMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5202194 0.91 HCRTR1 (0.43) CFDMEN1KMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5206105 0.91 CFD (0.38) CFDMEN1KMT2AHCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL5203743 0.90 CFD (0.39) CFDHCRTR1HCRTR2MMESMN1; SMN2
Trifluoroacetic Acid SCHEMBL5202626 0.90 ALDH1A1 (0.42) CFDMEN1KMT2AALDH1A1HCRTR1
Trifluoroacetic Acid SCHEMBL5206411 0.90 HCRTR1 (0.39) CFDMEN1KMT2AHCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL5207960 0.89 CFD (0.38) CFDMEN1KMT2AHCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL5208452 0.89 HCRTR1 (0.36) CFDMEN1KMT2AALDH1A1HCRTR1
Trifluoroacetic Acid SCHEMBL5205258 0.89 TAOK1 (0.39) CFDMEN1KMT2AALDH1A1HCRTR1
Trifluoroacetic Acid SCHEMBL5208028 0.88 HCRTR1 (0.36) CFDMEN1KMT2ATPSAB1HCRTR1

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-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US 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