Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5208348

N#Cc1ccc(CN(C(=O)CCC(=O)NCc2cccc3ccccc23)c2ccccc2Oc2cccc(CN)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
TPSAB1 Q15661 2/20 0.35
CACNA1B Q00975 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
LOX P28300 2/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
SCN9A Q15858 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 SCHEMBL5205308 0.94 TPSAB1 (0.38) TPSAB1MAPK1MEN1KMT2APSMB8
Trifluoroacetic Acid SCHEMBL5202243 0.92 EPHX2 (0.36) TPSAB1CACNA1BLOXLOXL2
Trifluoroacetic Acid SCHEMBL5208616 0.92 TSPO (0.38) TPSAB1CACNA1BMEN1KMT2APSMB8
Trifluoroacetic Acid SCHEMBL5208477 0.92 ALDH1A1 (0.37) TPSAB1CACNA1BEGLN2EGLN1MEN1
Trifluoroacetic Acid SCHEMBL5202153 0.91 TSPO (0.41) RAB9AMEN1KMT2ASCN9A
Trifluoroacetic Acid SCHEMBL5205606 0.91 TSPO (0.38) MAPK1MEN1KMT2APSMB8PSMB5
Trifluoroacetic Acid SCHEMBL5204751 0.90 TPSAB1 (0.35) TPSAB1CACNA1BMAPK1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5202242 0.90 TPSAB1 (0.37) TPSAB1MAPK1MEN1KMT2APSMB8
Trifluoroacetic Acid SCHEMBL5201746 0.89 CACNA1B (0.36) TPSAB1CACNA1BEGLN2EGLN1MEN1
Trifluoroacetic Acid SCHEMBL5203534 0.88 KMT2A (0.37) TPSAB1MAPK1MEN1KMT2APSMB8

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