Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4777488

CN(CCc1ccccn1)C(=O)c1ccc(C(=O)C(F)(F)F)s1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.58
HDAC6 Q9UBN7 6/20 0.58
HDAC3 O15379 5/20 0.58
HDAC1 Q13547 4/20 0.58
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51

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 SCHEMBL7339589 0.81 MEN1 (0.57) KMT2AMEN1KDM4ETDP1HIF1A
Trifluoroacetic Acid SCHEMBL4776565 0.80 HDAC6 (0.52) HDAC4HDAC6HDAC3HDAC1TUBB4A
Trifluoroacetic Acid SCHEMBL4769601 0.80 HDAC6 (0.60) HDAC4HDAC6HDAC3HDAC1TUBB4A
Trifluoroacetic Acid SCHEMBL2201460 0.75 HDAC6 (0.50) HDAC4HDAC6HDAC3HDAC1TUBB4A
SCHEMBL31298063 0.74 MEN1 (0.67) KMT2AMEN1PTGFRKDM4ETDP1
SCHEMBL2205037 0.74 HDAC6 (1.00) HDAC4HDAC6HDAC3HDAC1KMT2A
SCHEMBL16105732 0.73 KMT2A (0.59) KMT2AMEN1PTGFRKDM4ETDP1
SCHEMBL2755865 0.73 KDM4E (0.62) KMT2AMEN1KDM4ETDP1HIF1A
Trifluoroacetic Acid SCHEMBL2202214 0.72 HDAC6 (0.61) HDAC4HDAC6HDAC3HDAC1TUBB4A
SCHEMBL11628586 0.72 KMT2A (0.71) HDAC6KMT2AMEN1MLYCDKDM4E

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-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed