Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8742977

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(NCCOCCN)(c3ccccc3Cl)c3cc(Cl)ccc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
CACNA1B Q00975 6/20 0.33
USP2 O75604 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
AVPR1B P47901 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7472360 0.95 NPSR1 (0.38) NPSR1GAAMAPTLMNAAVPR1B
Trifluoroacetic Acid SCHEMBL8592809 0.92 NPSR1 (0.36) NPSR1TDP1GAACACNA1BUSP2
SCHEMBL7467560 0.89 NPSR1 (0.38) NPSR1GAAMAPTLMNAAVPR1B
SCHEMBL7477246 0.87 NPSR1 (0.39) NPSR1GAAUSP2MAPTLMNA
SCHEMBL7471274 0.86 NPSR1 (0.38) NPSR1GAAUSP2MAPTLMNA
SCHEMBL7471625 0.85 NPSR1 (0.41) NPSR1GAAUSP2MAPTLMNA
Trifluoroacetic Acid SCHEMBL8589290 0.85 CACNA1B (0.36) NPSR1TDP1GAACACNA1BUSP2
Trifluoroacetic Acid SCHEMBL8742824 0.85 AVPR1A (0.41) TDP1GAAMAPTAVPR1BMEN1
SCHEMBL7471149 0.84 NPSR1 (0.39) NPSR1GAAMAPTLMNAAVPR1B
SCHEMBL8742735 0.84 NPSR1 (0.40) NPSR1GAAMAPTLMNAAVPR1B

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
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed