Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8516973

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

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.44
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 3/20 0.37
MMP13 P45452 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
BRD4 O60885 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
APP P05067 1/20 0.34

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 SCHEMBL8362812 0.90 LMNA (0.44) CFTRLMNAHTTPOLBUSP2
Trifluoroacetic Acid SCHEMBL8365298 0.90 CFTR (0.45) CFTRPOLBCA12CA1CA2
Trifluoroacetic Acid SCHEMBL8366749 0.88 LMNA (0.41) CFTRLMNAHTTPOLBUSP2
Trifluoroacetic Acid SCHEMBL8515708 0.87 CFTR (0.46) CFTRLMNAHTTPOLBUSP2
Trifluoroacetic Acid SCHEMBL8516679 0.87 CFTR (0.45) CFTRLMNAHTTPOLBUSP2
Trifluoroacetic Acid SCHEMBL8516484 0.86 CFTR (0.45) CFTRLMNAHTTPOLBUSP2
Trifluoroacetic Acid SCHEMBL8515718 0.85 CFTR (0.44) CFTRLMNAHTTPOLBUSP2
Trifluoroacetic Acid SCHEMBL8365276 0.84 CFTR (0.41) CFTRPOLBUSP2CA12CA1
Trifluoroacetic Acid SCHEMBL8516678 0.82 ALDH1A1 (0.42) CFTRLMNAUSP2TSHRCNR2
Trifluoroacetic Acid SCHEMBL8516454 0.82 CNR2 (0.41) CFTRPOLBCNR2CA12CA1

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