Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5591334

CN1CCN(C2CCN(Cc3ccc(C(=O)NN(CC4CCCC4)c4nc(C#N)ncc4Br)cc3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.62
CTSK P43235 5/20 0.62
CTSL P07711 4/20 0.62
CTSB P07858 1/20 0.62
CXCR3 P49682 7/20 0.38
SLC2A1 P11166 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
TBK1 Q9UHD2 1/20 0.34
CHRM4 P08173 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 SCHEMBL5591206 0.97 CTSS (0.62) CTSSCTSKCTSLCTSBCXCR3
SCHEMBL5590944 0.95 CTSS (0.68) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL5591441 0.95 CTSS (0.69) CTSSCTSKCTSLCTSBSLC2A1
SCHEMBL5591180 0.93 CTSS (0.68) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL5591828 0.91 CTSS (0.63) CTSSCTSKCTSLCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3165929 0.90 CTSS (0.58) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL5591343 0.90 CTSL (0.57) CTSSCTSKCTSLCTSBCHRM4
SCHEMBL5591423 0.90 CTSS (0.76) CTSSCTSKCTSLCTSBHDAC6
Trifluoroacetic Acid SCHEMBL3169427 0.89 CTSS (0.58) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL5591489 0.89 CTSS (0.61) CTSSCTSKCTSLCTSBSLC2A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007025774-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO claimed