Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5157789

O=C(Nc1nc2ccc(OS(=O)(=O)c3cccs3)cc2s1)C1CC1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
LMNA P02545 4/20 0.61
HTT P42858 2/20 0.61
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
MAPK1 P28482 4/20 0.56
ALDH1A1 P00352 4/20 0.56
POLB P06746 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
CLK1 P49759 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SENP7 Q9BQF6 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL4402209 0.94 MAPT (0.67) MAPTLMNAHTTMEN1KMT2A
SCHEMBL4397392 0.88 MAPT (0.63) MAPTLMNAHTTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5158228 0.86 CLK1 (0.56) MAPTLMNAHTTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5157958 0.81 MAPT (0.53) MAPTLMNAHTTMEN1KMT2A
SCHEMBL4394546 0.80 CLK1 (0.56) MAPTLMNAHTTMEN1KMT2A
SCHEMBL544677 0.79 ABL1 (0.58) MAPTLMNAHTTMEN1KMT2A
SCHEMBL4397032 0.79 CLK1 (0.62) MAPTLMNAHTTMEN1KMT2A
SCHEMBL4398883 0.78 CLK1 (0.53) MAPTLMNAHTTMEN1KMT2A
SCHEMBL4397591 0.78 CLK1 (0.61) MAPTLMNAHTTMEN1KMT2A
SCHEMBL4402171 0.78 ENPP3 (0.56) MAPTLMNAHTTMEN1KMT2A

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