Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30005909

CN(c1ccc(C(=O)NCCN)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1)S(C)(=O)=O.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ TRPV4 Q9HBA0 3/20 0.39
▸ ATM Q13315 1/20 0.39

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 SCHEMBL30005743 0.96 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NPSR1MAPT
Trifluoroacetic Acid SCHEMBL30005714 0.94 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPSR1MAPT
Trifluoroacetic Acid SCHEMBL30004886 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NPSR1MAPT
Trifluoroacetic Acid SCHEMBL30005320 0.89 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30006470 0.88 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPSR1MAPT
Trifluoroacetic Acid SCHEMBL30006612 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1MAPT
Trifluoroacetic Acid SCHEMBL30004817 0.88 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPSR1MAPT
Trifluoroacetic Acid SCHEMBL30005566 0.87 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005942 0.87 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL30005289 0.85 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1NPSR1MAPT

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 — — WO disclosed