Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8517047

N#Cc1ccc(Cn2cc(-c3nc4cc(Cl)c(Cl)cc4n(CC4CCCNC4)c3=O)c3ccccc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
PAX8 Q06710 1/20 0.39
BRD4 O60885 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
GHSR Q92847 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPM1 P06748 1/20 0.35
KDM1A O60341 2/20 0.35
ACP1 P24666 1/20 0.35
POLB P06746 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 SCHEMBL8516597 0.93 BRD4 (0.44) CNR2PAX8BRD4PDE4APDE4B
Trifluoroacetic Acid SCHEMBL8516454 0.88 CNR2 (0.41) CNR2PAX8BRD4GHSRACP1
Trifluoroacetic Acid SCHEMBL8365272 0.84 BRD4 (0.40) BRD4PARP1PARP2GHSRLMNA
Trifluoroacetic Acid SCHEMBL8517048 0.84 PAX8 (0.46) CNR2PAX8PDE4APDE4BPDE4C
Trifluoroacetic Acid SCHEMBL8516922 0.82 LMNA (0.39) CNR2PAX8BRD4PDE4APDE4B
Trifluoroacetic Acid SCHEMBL4687029 0.82 BRD4 (0.51) BRD4PDE4APDE4BPDE4CPDE4D
Trifluoroacetic Acid SCHEMBL8367841 0.81 LMNA (0.38) CNR2PAX8BRD4PDE4APDE4B
Trifluoroacetic Acid SCHEMBL8516040 0.80 LMNA (0.37) CNR2PAX8BRD4PDE4APDE4B
Trifluoroacetic Acid SCHEMBL8366749 0.80 LMNA (0.41) CNR2PAX8BRD4PDE4APDE4B
Trifluoroacetic Acid SCHEMBL8368507 0.78 BRD4 (0.43) CNR2BRD4GHSRACP1

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