Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5592953

CC(C)CN(NC(=O)c1cncc(-c2cccc(CN3CCN(C)CC3)c2)c1)c1nc(C#N)ncc1Br.O=C(O)C(F)(F)F

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.68
CTSS P25774 2/20 0.68
CTSK P43235 2/20 0.68
CTSB P07858 1/20 0.68
SLC2A1 P11166 5/20 0.41
ACKR3 P25106 5/20 0.38
PAX8 Q06710 1/20 0.37
CDK8 P49336 1/20 0.36
KISS1R Q969F8 1/20 0.35
RET P07949 1/20 0.35
CHRM3 P20309 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
TNIK Q9UKE5 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
SCHEMBL5593158 0.95 CTSL (0.74) CTSLCTSSCTSKCTSBACKR3
Trifluoroacetic Acid SCHEMBL5592914 0.91 CTSL (0.69) CTSLCTSSCTSKCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3159904 0.87 CTSS (0.49) CTSLCTSSCTSKCTSBSLC2A1
Trifluoroacetic Acid SCHEMBL3319243 0.87 CTSS (0.90) CTSLCTSSCTSKCTSBSLC2A1
SCHEMBL8242630 0.86 CTSL (0.76) CTSLCTSSCTSKCTSBKISS1R
Trifluoroacetic Acid SCHEMBL5592904 0.86 CTSL (0.66) CTSLCTSSCTSKCTSBSLC2A1
SCHEMBL3169523 0.82 CTSS (0.53) CTSLCTSSCTSKCTSBACKR3
SCHEMBL5592896 0.81 CTSS (1.00) CTSLCTSSCTSKCTSB
Trifluoroacetic Acid SCHEMBL5592848 0.81 CTSL (0.79) CTSLCTSSCTSKCTSBSLC2A1
SCHEMBL5592724 0.81 CTSL (0.54) CTSLCTSSCTSKCTSBKISS1R

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-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO claimed