Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3398157

Cc1[nH]c(C)c(-c2ccc(-c3ccc(CN(C)Cc4ccc(OC(F)(F)F)cc4)cc3)cc2)c(=O)c1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.40
SLC2A1 P11166 1/20 0.39
PRMT6 Q96LA8 1/20 0.37
LSS P48449 1/20 0.37
PTGER4 P35408 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
ESR1 P03372 1/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GRM2 Q14416 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL3712620 0.94 SLC2A1 (0.41) SERPINE1SLC2A1PRMT6LSSMMP2
Hydrochloric Acid SCHEMBL3394437 0.93 SLC2A1 (0.40) SERPINE1SLC2A1PRMT6LSSMMP2
SCHEMBL3713576 0.93 SLC2A1 (0.42) SERPINE1SLC2A1PRMT6LSSPTGDR2
Hydrochloric Acid SCHEMBL3398480 0.92 SLC2A1 (0.41) SERPINE1SLC2A1PRMT6LSSPTGDR2
Trifluoroacetic Acid SCHEMBL3398116 0.91 PRMT1 (0.47) SERPINE1SLC2A1PTGER4ESR1
Trifluoroacetic Acid SCHEMBL3394740 0.90 HDAC3 (0.38) SERPINE1SLC2A1LSSESR1PPARA
SCHEMBL3707693 0.87 PRMT6 (0.40) SERPINE1SLC2A1PRMT6PTGDR2
Hydrochloric Acid SCHEMBL3395841 0.86 PRMT6 (0.39) SERPINE1SLC2A1PRMT6PTGDR2
SCHEMBL3391536 0.85 PRMT6 (0.39) SERPINE1SLC2A1PRMT6LSSPTGDR2
SCHEMBL3709650 0.84 PRMT1 (0.51) SLC2A1PRMT6ESR1GRM2

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-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