Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7832819

CCCCCCCN1CC[C@H](NC(=O)Nc2ccnc3ccc(OC)cc23)[C@H](C(=O)O)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.47
SLC2A1 P11166 2/20 0.41
KCNH2 Q12809 3/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MCHR1 Q99705 1/20 0.39
PLK4 O00444 1/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38
FER P16591 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38

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
Oxalic Acid SCHEMBL6223378 0.87 CCR8 (0.47) CCR8SLC2A1KCNH2HTR1AADRA1D
Oxalic Acid SCHEMBL6223377 0.87 CCR8 (0.47) CCR8SLC2A1KCNH2HTR1AADRA1D
SCHEMBL6224110 0.86 CCR8 (0.49) CCR8SLC2A1KCNH2HTR1AADRA1D
SCHEMBL6224107 0.86 CCR8 (0.49) CCR8SLC2A1KCNH2HTR1AADRA1D
SCHEMBL6224111 0.86 CCR8 (0.49) CCR8SLC2A1KCNH2HTR1AADRA1D
Oxalic Acid SCHEMBL6222717 0.85 CCR8 (0.48) CCR8SLC2A1KCNH2HTR1AADRA1D
Oxalic Acid SCHEMBL6222719 0.85 CCR8 (0.48) CCR8SLC2A1KCNH2HTR1AADRA1D
SCHEMBL6222721 0.84 CCR8 (0.48) CCR8SLC2A1KCNH2HTR1AADRA1D
SCHEMBL6222506 0.83 CCR8 (0.54) CCR8SLC2A1KCNH2HTR1AADRA1D
Trifluoroacetic Acid SCHEMBL7498961 0.83 KCNH2 (0.49) SLC2A1KCNH2

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-1144404-A1 PIPERIDINYLQUINOLINES AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-10-17 EP disclosed
WO-2000043383-A1 PIPERIDINYLQUINOLINES AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2000-07-27 WO disclosed