Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6422577

CN(C)C(=O)Cn1c2c(c3ccccc31)CCNC2.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.49
HDAC1 Q13547 5/20 0.49
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR6 P50406 3/20 0.44
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
HDAC8 Q9BY41 1/20 0.40
TSPO P30536 1/20 0.40
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
TBXA2R P21731 2/20 0.38
PTGDR Q13258 2/20 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
SCHEMBL6421542 0.92 HDAC1 (0.55) HDAC6HDAC1KDM4EHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL6424059 0.88 HDAC6 (0.52) HDAC6HDAC1KDM4EHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL6425706 0.86 HDAC6 (0.52) HDAC6HDAC1KDM4EHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL6421107 0.85 HDAC6 (0.52) HDAC6HDAC1KDM4EHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL6422705 0.85 HDAC6 (0.52) HDAC6HDAC1KDM4EHSD17B10MEN1
SCHEMBL5616812 0.83 HDAC1 (0.55) HDAC6HDAC1KDM4EHSD17B10MEN1
Hydrochloric Acid SCHEMBL6475095 0.83 KDM4E (0.54) HDAC6HDAC1KDM4EHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL6423027 0.83 HDAC6 (0.67) HDAC6HDAC1HTR6HDAC8
Trifluoroacetic Acid SCHEMBL6421091 0.81 HDAC6 (0.51) HDAC6HDAC1KDM4EHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL968555 0.80 HTR2A (0.60) HDAC6HDAC1KDM4EHSD17B10HTR6

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
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed