Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5201456

COc1ccc(CNC(=O)CCC(=O)N(Cc2ccc(NC(C)=O)cc2)c2ccccc2Oc2cccc(CN)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ KMT2A Q03164 5/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ TSPO P30536 1/20 0.39
▸ TPSAB1 Q15661 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38

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 SCHEMBL5205999 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AATML3MBTL1MEN1
Trifluoroacetic Acid SCHEMBL5208564 0.91 TPSAB1 (0.37) ALDH1A1KMT2AL3MBTL1MEN1TPSAB1
Trifluoroacetic Acid SCHEMBL5205693 0.91 CSF1R (0.39) ALDH1A1KMT2AL3MBTL1TSPOTPSAB1
Trifluoroacetic Acid SCHEMBL5203534 0.90 KMT2A (0.37) KMT2AL3MBTL1MEN1TPSAB1
Trifluoroacetic Acid SCHEMBL5202539 0.90 ALDH1A1 (0.38) ALDH1A1KMT2AL3MBTL1MEN1TSPO
Trifluoroacetic Acid SCHEMBL5206365 0.90 KMT2A (0.39) ALDH1A1KMT2AL3MBTL1MEN1TPSAB1
Trifluoroacetic Acid SCHEMBL5206020 0.90 ALDH1A1 (0.43) ALDH1A1KMT2AATML3MBTL1MEN1
Trifluoroacetic Acid SCHEMBL5203223 0.90 NAMPT (0.40) ALDH1A1KMT2AMEN1TSPO
Trifluoroacetic Acid SCHEMBL5207332 0.89 TPSAB1 (0.44) ALDH1A1KMT2AMEN1TSPOTPSAB1
Trifluoroacetic Acid SCHEMBL5202609 0.87 TSPO (0.44) ALDH1A1KMT2AATMMEN1TSPO

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