Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8516484

COC(=O)c1ccc2nc(-c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n(CCCCCN)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.45
POLB P06746 2/20 0.39
CNR2 P34972 3/20 0.38
BRD4 O60885 1/20 0.38
MMP13 P45452 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
ACSS2 Q9NR19 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPM1 P06748 1/20 0.36
KCNH2 Q12809 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
APP P05067 1/20 0.35
SNCA P37840 1/20 0.35
DRD2 P14416 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
Trifluoroacetic Acid SCHEMBL8515708 0.97 CFTR (0.46) CFTRPOLBCNR2BRD4MMP13
Trifluoroacetic Acid SCHEMBL8515718 0.92 CFTR (0.44) CFTRPOLBCNR2BRD4MMP13
Trifluoroacetic Acid SCHEMBL8516679 0.91 CFTR (0.45) CFTRPOLBCNR2BRD4MMP13
Trifluoroacetic Acid SCHEMBL8516660 0.90 CFTR (0.46) CFTRCNR2CA12CA1CA2
Trifluoroacetic Acid SCHEMBL8362203 0.89 CFTR (0.41) CFTRPOLBCNR2BRD4LMNA
Trifluoroacetic Acid SCHEMBL8367841 0.87 LMNA (0.38) CFTRPOLBCNR2BRD4LMNA
Trifluoroacetic Acid SCHEMBL8516150 0.87 CFTR (0.47) CFTRCA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL8368538 0.86 CFTR (0.42) CFTRPOLBCNR2BRD4LMNA
Trifluoroacetic Acid SCHEMBL8516973 0.86 CFTR (0.44) CFTRPOLBCNR2BRD4MMP13
Trifluoroacetic Acid SCHEMBL8516922 0.84 LMNA (0.39) CFTRPOLBCNR2BRD4LMNA

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO claimed
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed