Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8517048

N#Cc1ccc(Cn2cc(-c3nc4cc(Cl)c(Cl)cc4n(C4CCNCC4)c3=O)c3ccccc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.46
CNR2 P34972 3/20 0.41
POLB P06746 1/20 0.39
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CNR1 P21554 2/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
NPM1 P06748 1/20 0.38
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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 SCHEMBL8516160 0.93 PAX8 (0.47) PAX8CNR2POLBPDE4APDE4B
Trifluoroacetic Acid SCHEMBL8367881 0.90 CYP1A2 (0.41) PAX8CNR2PDE4APDE4BPDE4C
Trifluoroacetic Acid SCHEMBL8516143 0.87 PAX8 (0.44) PAX8CNR2POLBPDE4APDE4B
Trifluoroacetic Acid SCHEMBL8517047 0.84 CNR2 (0.40) PAX8CNR2POLBPDE4APDE4B
Trifluoroacetic Acid SCHEMBL8516758 0.83 PTGDR2 (0.39) PAX8PDE4BPDE4DLMNAMEN1
Trifluoroacetic Acid SCHEMBL8515754 0.82 CYP1A2 (0.40) CNR2POLBCNR1LMNAMEN1
Trifluoroacetic Acid SCHEMBL8365282 0.82 CYP1A2 (0.44) LMNAMEN1KMT2AUSP2ALDH1A1
Trifluoroacetic Acid SCHEMBL8516922 0.81 LMNA (0.39) PAX8CNR2POLBPDE4APDE4B
Trifluoroacetic Acid SCHEMBL8367899 0.81 LMNA (0.44) PAX8CNR2POLBPDE4APDE4B
Trifluoroacetic Acid SCHEMBL8367841 0.80 LMNA (0.38) PAX8CNR2POLBPDE4APDE4B

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