Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5157958

CCN(CC)CCC(=O)Nc1nc2ccc(OS(=O)(=O)c3cccs3)cc2s1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CLK1 P49759 1/20 0.53
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 2/20 0.49
POLB P06746 2/20 0.49
ESR2 Q92731 1/20 0.49
SENP7 Q9BQF6 3/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
GAA P10253 3/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 4/20 0.45

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
SCHEMBL4396843 0.94 MAPT (0.59) MAPTL3MBTL1CLK1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5158228 0.86 CLK1 (0.56) MAPTL3MBTL1CLK1MEN1KMT2A
SCHEMBL4397591 0.82 CLK1 (0.61) MAPTL3MBTL1CLK1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5157789 0.81 MAPT (0.61) MAPTL3MBTL1CLK1MEN1KMT2A
SCHEMBL4404686 0.80 CLK1 (0.68) MAPTL3MBTL1CLK1MEN1KMT2A
SCHEMBL4397032 0.80 CLK1 (0.62) MAPTL3MBTL1CLK1MEN1KMT2A
SCHEMBL4397681 0.79 CLK1 (0.56) MAPTL3MBTL1CLK1MEN1KMT2A
SCHEMBL4394546 0.77 CLK1 (0.56) MAPTL3MBTL1CLK1MEN1KMT2A
SCHEMBL4398883 0.77 CLK1 (0.53) MAPTL3MBTL1CLK1MEN1KMT2A
SCHEMBL4402209 0.74 MAPT (0.67) MAPTL3MBTL1CLK1MEN1KMT2A

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
EP-1745044-A2 BENZOTHIAZOLE DERIVATIVES HAVING CDK MODULATING ACTIVITY AND USE THEREOF AS ANTICANCER AGENTS Aventis Pharma S.A. (FR) 2007-01-24 EP disclosed
WO-2005097787-A2 NOVEL BENZOTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS AVENTIS PHARMA S.A. (FR) 2005-10-20 WO disclosed