Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3394740

Cc1[nH]c(C)c(-c2ccc(-c3ccc(CN(C)Cc4ccc(OC(F)(F)F)cc4)s3)cc2)c(=O)c1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
PTGES O14684 1/20 0.35
SLC2A1 P11166 1/20 0.34
PPARA Q07869 2/20 0.34
ABL1 P00519 1/20 0.34
ESR1 P03372 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.33
PPARD Q03181 1/20 0.33
SERPINE1 P05121 1/20 0.33
KIT P10721 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
LSS P48449 1/20 0.32

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
SCHEMBL3705658 0.95 SLC2A1 (0.35) HDAC3HDAC4HDAC1HDAC6ERCC5
Hydrochloric Acid SCHEMBL3397627 0.94 SLC2A1 (0.34) HDAC3HDAC4HDAC1HDAC6ERCC5
Trifluoroacetic Acid SCHEMBL3398157 0.90 SERPINE1 (0.40) SLC2A1PPARAESR1SERPINE1LSS
SCHEMBL3713576 0.85 SLC2A1 (0.42) SLC2A1SERPINE1LSS
Trifluoroacetic Acid SCHEMBL3398116 0.85 PRMT1 (0.47) SLC2A1ESR1SERPINE1
Hydrochloric Acid SCHEMBL3398480 0.84 SLC2A1 (0.41) SLC2A1SERPINE1LSS
SCHEMBL3712620 0.84 SLC2A1 (0.41) SLC2A1SERPINE1LSS
Hydrochloric Acid SCHEMBL3394437 0.83 SLC2A1 (0.40) SLC2A1SERPINE1LSS
SCHEMBL3395496 0.81 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC6ERCC5
SCHEMBL3707693 0.80 PRMT6 (0.40) SLC2A1ABL1SERPINE1

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-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP claimed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed