Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5591222

N#Cc1ncc(Br)c(N(CC2CCCC2)NC(=O)c2ccc(F)c(CN3CCC(N4CCOCC4)CC3)c2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
GPR6 P46095 5/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
DDR1 Q08345 3/20 0.33
CXCR3 P49682 2/20 0.32
ACVR1 Q04771 2/20 0.32
CCR3 P51677 1/20 0.32

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
SCHEMBL5591897 0.96 CTSL (0.46) CTSLCTSSCTSKCTSBJAK2
SCHEMBL8245495 0.90 CTSL (0.47) CTSLCTSSCTSKCTSBCXCR3
Trifluoroacetic Acid SCHEMBL5591672 0.88 CTSS (0.56) CTSLCTSSCTSKCTSBGPR6
SCHEMBL5591269 0.86 CTSL (0.57) CTSLCTSSCTSKCTSBJAK2
SCHEMBL5591381 0.84 CTSL (0.60) CTSLCTSSCTSKCTSBGPR6
Trifluoroacetic Acid SCHEMBL5591334 0.83 CTSS (0.62) CTSLCTSSCTSKCTSBCXCR3
Trifluoroacetic Acid SCHEMBL5592940 0.83 CTSL (0.48) CTSLCTSSCTSKCTSBGPR6
Trifluoroacetic Acid SCHEMBL5591206 0.82 CTSS (0.62) CTSLCTSSCTSKCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3166832 0.81 CTSL (0.49) CTSLCTSSCTSKCTSBCXCR3
Trifluoroacetic Acid SCHEMBL5591343 0.81 CTSL (0.57) CTSLCTSSCTSKCTSB

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